N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine

C14H21ClN2 — CID 65071149

IUPACN-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
SMILESCc1ccc(NC2CCCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-5-6-14(13(15)10-11)16-12-4-3-8-17(2)9-7-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyYIPWKIXMUXGRQW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.54
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine

N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine (PubChem CID 65071149) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
PubChem CID65071149
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
SMILESCc1ccc(NC2CCCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-5-6-14(13(15)10-11)16-12-4-3-8-17(2)9-7-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyYIPWKIXMUXGRQW-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
CID 65070285
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 79724113
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824
2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol
CID 65070779
2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753624

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine (CID 65071149) is N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine is Cc1ccc(NC2CCCN(C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine?
The InChIKey is YIPWKIXMUXGRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-5-6-14(13(15)10-11)16-12-4-3-8-17(2)9-7-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine?
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine is sourced from PubChem (CID 65071149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).