1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine

C15H24N2O2 — CID 79458725

IUPAC1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
SMILESCOc1ccc(CNC2CCCC(N)C2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-18-14-7-6-11(8-15(14)19-2)10-17-13-5-3-4-12(16)9-13/h6-8,12-13,17H,3-5,9-10,16H2,1-2H3
InChIKeyOAUMIDCKGZHSNS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds5

About 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine

1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine (PubChem CID 79458725) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
PubChem CID79458725
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
SMILESCOc1ccc(CNC2CCCC(N)C2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-18-14-7-6-11(8-15(14)19-2)10-17-13-5-3-4-12(16)9-13/h6-8,12-13,17H,3-5,9-10,16H2,1-2H3
InChIKeyOAUMIDCKGZHSNS-UHFFFAOYSA-N
XLogP2.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine with MolForge

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine (CID 79458725) is 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine is COc1ccc(CNC2CCCC(N)C2)cc1OC.
What is the InChIKey of 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine?
The InChIKey is OAUMIDCKGZHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-14-7-6-11(8-15(14)19-2)10-17-13-5-3-4-12(16)9-13/h6-8,12-13,17H,3-5,9-10,16H2,1-2H3.
What are the key properties of 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine?
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).