2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide

C15H21ClN2O — CID 104677439

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
SMILESNCC1(CC(=O)Nc2ccccc2Cl)CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-12-6-2-3-7-13(12)18-14(19)10-15(11-17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11,17H2,(H,18,19)
InChIKeyKQUKPFHTKIPGPC-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.58
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide (PubChem CID 104677439) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
PubChem CID104677439
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
SMILESNCC1(CC(=O)Nc2ccccc2Cl)CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-12-6-2-3-7-13(12)18-14(19)10-15(11-17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11,17H2,(H,18,19)
InChIKeyKQUKPFHTKIPGPC-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 81168561
2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 81179451
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 104677385
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide (CID 104677439) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide is NCC1(CC(=O)Nc2ccccc2Cl)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is KQUKPFHTKIPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-12-6-2-3-7-13(12)18-14(19)10-15(11-17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-11,17H2,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 280.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 104677439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).