N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine

C14H21ClN2 — CID 65070501

IUPACN-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-17-8-3-6-14(7-9-17)16-11-12-4-2-5-13(15)10-12/h2,4-5,10,14,16H,3,6-9,11H2,1H3
InChIKeyNPIDHMKMNRCOQT-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.91
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine

N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine (PubChem CID 65070501) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
PubChem CID65070501
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-17-8-3-6-14(7-9-17)16-11-12-4-2-5-13(15)10-12/h2,4-5,10,14,16H,3,6-9,11H2,1H3
InChIKeyNPIDHMKMNRCOQT-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine (CID 65070501) is N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine is CN1CCCC(NCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine?
The InChIKey is NPIDHMKMNRCOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17-8-3-6-14(7-9-17)16-11-12-4-2-5-13(15)10-12/h2,4-5,10,14,16H,3,6-9,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine?
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine has a molecular weight of 252.79 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).