2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine

C83H123ClF3N7O9S — CID 161441087

IUPAC2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(=O)N(C)C)c(Cl)c1.CC(C)c1ccc(OC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(OCCN2CCN(C)CC2)c(F)c1.CC(C)c1ccc(OCCN2CCOCC2)c(F)c1.CC(C)c1ccc(S(C)=O)nc1.COc1cc(C(C)C)ccc1OCCN1CCOCC1
InChIInChI=1S/C16H25FN2O.C16H25NO3.C15H22FNO2.C15H22FNO.C12H16ClNO.C9H13NOS/c1-13(2)14-4-5-16(15(17)12-14)20-11-10-19-8-6-18(3)7-9-19;1-13(2)14-4-5-15(16(12-14)18-3)20-11-8-17-6-9-19-10-7-17;1-12(2)13-3-4-15(14(16)11-13)19-10-7-17-5-8-18-9-6-17;1-11(2)12-4-5-15(14(16)10-12)18-13-6-8-17(3)9-7-13;1-8(2)9-5-6-10(11(13)7-9)12(15)14(3)4;1-7(2)8-4-5-9(10-6-8)12(3)11/h2*4-5,12-13H,6-11H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;4-5,10-11,13H,6-9H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyVZHAOAIBPJQMMH-UHFFFAOYSA-N
MW1487.45 g/mol
LogP16.29
Rot. Bonds23

About 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine

2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine (PubChem CID 161441087) has the molecular formula C83H123ClF3N7O9S and a molecular weight of 1487.45 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine
PubChem CID161441087
Molecular FormulaC83H123ClF3N7O9S
Molecular Weight1487.45 g/mol
Exact Mass1485.87
IUPAC Name2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(=O)N(C)C)c(Cl)c1.CC(C)c1ccc(OC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(OCCN2CCN(C)CC2)c(F)c1.CC(C)c1ccc(OCCN2CCOCC2)c(F)c1.CC(C)c1ccc(S(C)=O)nc1.COc1cc(C(C)C)ccc1OCCN1CCOCC1
InChIInChI=1S/C16H25FN2O.C16H25NO3.C15H22FNO2.C15H22FNO.C12H16ClNO.C9H13NOS/c1-13(2)14-4-5-16(15(17)12-14)20-11-10-19-8-6-18(3)7-9-19;1-13(2)14-4-5-15(16(12-14)18-3)20-11-8-17-6-9-19-10-7-17;1-12(2)13-3-4-15(14(16)11-13)19-10-7-17-5-8-18-9-6-17;1-11(2)12-4-5-15(14(16)10-12)18-13-6-8-17(3)9-7-13;1-8(2)9-5-6-10(11(13)7-9)12(15)14(3)4;1-7(2)8-4-5-9(10-6-8)12(3)11/h2*4-5,12-13H,6-11H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;4-5,10-11,13H,6-9H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyVZHAOAIBPJQMMH-UHFFFAOYSA-N
XLogP16.29
TPSA131.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.45
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 159559429
2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;(2-chloro-4-propan-2-ylphenyl)-(4-ethylpiperazin-1-yl)methanone;(2-chloro-4-propan-2-ylphenyl)-piperazin-1-ylmethanone;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfonylethane
CID 160505519
2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;(2-chloro-4-propan-2-ylphenyl)-(4-ethylpiperazin-1-yl)methanone;(2-chloro-4-propan-2-ylphenyl)-piperazin-1-ylmethanone;ethanesulfinate;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;2-methylsulfinyl-5-propan-2-ylpyridine
CID 162245688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine?
The IUPAC name of 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine (CID 161441087) is 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine is CC(C)c1ccc(C(=O)N(C)C)c(Cl)c1.CC(C)c1ccc(OC2CCN(C)CC2)c(F)c1.CC(C)c1ccc(OCCN2CCN(C)CC2)c(F)c1.CC(C)c1ccc(OCCN2CCOCC2)c(F)c1.CC(C)c1ccc(S(C)=O)nc1.COc1cc(C(C)C)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine?
The InChIKey is VZHAOAIBPJQMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O.C16H25NO3.C15H22FNO2.C15H22FNO.C12H16ClNO.C9H13NOS/c1-13(2)14-4-5-16(15(17)12-14)20-11-10-19-8-6-18(3)7-9-19;1-13(2)14-4-5-15(16(12-14)18-3)20-11-8-17-6-9-19-10-7-17;1-12(2)13-3-4-15(14(16)11-13)19-10-7-17-5-8-18-9-6-17;1-11(2)12-4-5-15(14(16)10-12)18-13-6-8-17(3)9-7-13;1-8(2)9-5-6-10(11(13)7-9)12(15)14(3)4;1-7(2)8-4-5-9(10-6-8)12(3)11/h2*4-5,12-13H,6-11H2,1-3H3;3-4,11-12H,5-10H2,1-2H3;4-5,10-11,13H,6-9H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine?
2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine has a molecular weight of 1487.45 g/mol, XLogP of 16.29, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine is sourced from PubChem (CID 161441087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).