1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine

C16H26N2O2 — CID 79459133

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

About 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine

1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459133) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459133
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
SMILESCOc1ccc(OC)c(C(C)NC2CCCC(N)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11(18-13-6-4-5-12(17)9-13)15-10-14(19-2)7-8-16(15)20-3/h7-8,10-13,18H,4-6,9,17H2,1-3H3
InChIKeyWRCKBXLQWCYWFW-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-(2,5-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

1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 119164773
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459539
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79459068
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine (CID 79459133) is 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine is COc1ccc(OC)c(C(C)NC2CCCC(N)C2)c1.
What is the InChIKey of 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is WRCKBXLQWCYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(18-13-6-4-5-12(17)9-13)15-10-14(19-2)7-8-16(15)20-3/h7-8,10-13,18H,4-6,9,17H2,1-3H3.
What are the key properties of 1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(2,5-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-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).