(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate

C15H20ClNO2 — CID 79525379

IUPAC(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1CCC(C(=O)OCc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClNO2/c16-14-4-2-1-3-13(14)10-19-15(18)12-7-5-11(9-17)6-8-12/h1-4,11-12H,5-10,17H2
InChIKeyRWBDZAMUEFURFV-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.15
Rot. Bonds4

About (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate

(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 79525379) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID79525379
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1CCC(C(=O)OCc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClNO2/c16-14-4-2-1-3-13(14)10-19-15(18)12-7-5-11(9-17)6-8-12/h1-4,11-12H,5-10,17H2
InChIKeyRWBDZAMUEFURFV-UHFFFAOYSA-N
XLogP3.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate (CID 79525379) is (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate is NCC1CCC(C(=O)OCc2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is RWBDZAMUEFURFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-4-2-1-3-13(14)10-19-15(18)12-7-5-11(9-17)6-8-12/h1-4,11-12H,5-10,17H2.
What are the key properties of (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate?
(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79525379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).