1-(4-cyclohexylphenyl)ethane-1,2-diamine

C14H22N2 — CID 77131240

IUPAC1-(4-cyclohexylphenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10,15-16H2
InChIKeyILXCCKWOTSLTGQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds3

About 1-(4-cyclohexylphenyl)ethane-1,2-diamine

1-(4-cyclohexylphenyl)ethane-1,2-diamine (PubChem CID 77131240) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)ethane-1,2-diamine
PubChem CID77131240
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-cyclohexylphenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10,15-16H2
InChIKeyILXCCKWOTSLTGQ-UHFFFAOYSA-N
XLogP2.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898
(4-cyclohexylphenyl)methanamine
CID 22246867

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-cyclohexylphenyl)ethane-1,2-diamine (CID 77131240) is 1-(4-cyclohexylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)ethane-1,2-diamine is NCC(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)ethane-1,2-diamine?
The InChIKey is ILXCCKWOTSLTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10,15-16H2.
What are the key properties of 1-(4-cyclohexylphenyl)ethane-1,2-diamine?
1-(4-cyclohexylphenyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 77131240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).