N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine

C16H25ClN2 — CID 66251857

IUPACN-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2c(C)cccc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-10-19-11-5-7-14(9-12-19)18-16-13(2)6-4-8-15(16)17/h4,6,8,14,18H,3,5,7,9-12H2,1-2H3
InChIKeyCFBQIXSGUQSQBT-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.32
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine

N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine (PubChem CID 66251857) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
PubChem CID66251857
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2c(C)cccc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-10-19-11-5-7-14(9-12-19)18-16-13(2)6-4-8-15(16)17/h4,6,8,14,18H,3,5,7,9-12H2,1-2H3
InChIKeyCFBQIXSGUQSQBT-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 66251667
N-[2-chloro-6-(trifluoromethyl)phenyl]-1-ethylazepan-4-amine
CID 65074435
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine (CID 66251857) is N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2c(C)cccc2Cl)CC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine?
The InChIKey is CFBQIXSGUQSQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-10-19-11-5-7-14(9-12-19)18-16-13(2)6-4-8-15(16)17/h4,6,8,14,18H,3,5,7,9-12H2,1-2H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine?
N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine has a molecular weight of 280.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 66251857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).