4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C16H23ClN2O2 — CID 103292345

IUPAC4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H23ClN2O2/c1-21-15-4-2-3-14(17)13(15)10-19-16(20)12-7-5-11(9-18)6-8-12/h2-4,11-12H,5-10,18H2,1H3,(H,19,20)
InChIKeyYSSVTKIDSPFFBZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.73
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 103292345) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID103292345
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)C1CCC(CN)CC1
InChIInChI=1S/C16H23ClN2O2/c1-21-15-4-2-3-14(17)13(15)10-19-16(20)12-7-5-11(9-18)6-8-12/h2-4,11-12H,5-10,18H2,1H3,(H,19,20)
InChIKeyYSSVTKIDSPFFBZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292388
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 103291819
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103293265
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 103292345) is 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1cccc(Cl)c1CNC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is YSSVTKIDSPFFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-21-15-4-2-3-14(17)13(15)10-19-16(20)12-7-5-11(9-18)6-8-12/h2-4,11-12H,5-10,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103292345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).