1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine

C16H22ClN3S — CID 79752060

IUPAC1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(CSc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H22ClN3S/c1-3-9-20-10-8-19-16(20)11-14(18-2)12-21-15-6-4-13(17)5-7-15/h4-8,10,14,18H,3,9,11-12H2,1-2H3
InChIKeyWEJBWWXJNLLGGA-UHFFFAOYSA-N
MW323.89 g/mol
LogP3.87
Rot. Bonds8

About 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine

1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79752060) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79752060
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(CSc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H22ClN3S/c1-3-9-20-10-8-19-16(20)11-14(18-2)12-21-15-6-4-13(17)5-7-15/h4-8,10,14,18H,3,9,11-12H2,1-2H3
InChIKeyWEJBWWXJNLLGGA-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760889
1-(3-chlorophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760892
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760890
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79752060) is 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(CSc1ccc(Cl)cc1)NC.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is WEJBWWXJNLLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-3-9-20-10-8-19-16(20)11-14(18-2)12-21-15-6-4-13(17)5-7-15/h4-8,10,14,18H,3,9,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 323.89 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79752060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).