1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

C16H22Cl2N2O — CID 115437487

IUPAC1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C16H22Cl2N2O/c1-20(10-12-6-5-7-13(17)14(12)18)15(21)16(11-19)8-3-2-4-9-16/h5-7H,2-4,8-11,19H2,1H3
InChIKeyXJGFMJJCWJBXEN-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.86
Rot. Bonds4

About 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 115437487) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID115437487
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C16H22Cl2N2O/c1-20(10-12-6-5-7-13(17)14(12)18)15(21)16(11-19)8-3-2-4-9-16/h5-7H,2-4,8-11,19H2,1H3
InChIKeyXJGFMJJCWJBXEN-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 113312820
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39913975
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 115437487) is 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is XJGFMJJCWJBXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-20(10-12-6-5-7-13(17)14(12)18)15(21)16(11-19)8-3-2-4-9-16/h5-7H,2-4,8-11,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115437487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).