N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C18H26ClN3O3 — CID 50973420

IUPACN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCOc1cc(CNC(CC)c2nc(C)no2)c(Cl)cc1OC(C)C
InChIInChI=1S/C18H26ClN3O3/c1-6-15(18-21-12(5)22-25-18)20-10-13-8-16(23-7-2)17(9-14(13)19)24-11(3)4/h8-9,11,15,20H,6-7,10H2,1-5H3
InChIKeyLYMYLMFBFMBIED-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.46
Rot. Bonds9

About N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 50973420) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID50973420
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCOc1cc(CNC(CC)c2nc(C)no2)c(Cl)cc1OC(C)C
InChIInChI=1S/C18H26ClN3O3/c1-6-15(18-21-12(5)22-25-18)20-10-13-8-16(23-7-2)17(9-14(13)19)24-11(3)4/h8-9,11,15,20H,6-7,10H2,1-5H3
InChIKeyLYMYLMFBFMBIED-UHFFFAOYSA-N
XLogP4.46
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542157
N'-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 66538110
1-N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]tetrazole-1,5-diamine
CID 66542079
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430
2-[3-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66537972
5-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 66532393
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541849
[2,6-dimethyl-4-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]methyl]phenyl] acetate
CID 50955741
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 50973420) is N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is CCOc1cc(CNC(CC)c2nc(C)no2)c(Cl)cc1OC(C)C.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is LYMYLMFBFMBIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-6-15(18-21-12(5)22-25-18)20-10-13-8-16(23-7-2)17(9-14(13)19)24-11(3)4/h8-9,11,15,20H,6-7,10H2,1-5H3.
What are the key properties of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 367.88 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 50973420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).