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

C16H26N2O2 — CID 79459154

IUPAC1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
SMILESCOc1ccc(C(C)NC2CCCC(N)C2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-11(18-14-6-4-5-13(17)10-14)12-7-8-15(19-2)16(9-12)20-3/h7-9,11,13-14,18H,4-6,10,17H2,1-3H3
InChIKeyBEYOSQMOHJIZER-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.62
Rot. Bonds5

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

1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459154) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459154
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
SMILESCOc1ccc(C(C)NC2CCCC(N)C2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-11(18-14-6-4-5-13(17)10-14)12-7-8-15(19-2)16(9-12)20-3/h7-9,11,13-14,18H,4-6,10,17H2,1-3H3
InChIKeyBEYOSQMOHJIZER-UHFFFAOYSA-N
XLogP2.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317684
1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459133
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
4-[1-(3,4-dimethoxyphenyl)ethylamino]azepan-2-one
CID 63905225
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119732102
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
CID 79458545

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine (CID 79459154) is 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine is COc1ccc(C(C)NC2CCCC(N)C2)cc1OC.
What is the InChIKey of 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is BEYOSQMOHJIZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(18-14-6-4-5-13(17)10-14)12-7-8-15(19-2)16(9-12)20-3/h7-9,11,13-14,18H,4-6,10,17H2,1-3H3.
What are the key properties of 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).