2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine

C16H26N2O — CID 115118079

IUPAC2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine
SMILESCCOc1ccc(CCNC2CCCCC2N)cc1
InChIInChI=1S/C16H26N2O/c1-2-19-14-9-7-13(8-10-14)11-12-18-16-6-4-3-5-15(16)17/h7-10,15-16,18H,2-6,11-12,17H2,1H3
InChIKeyYKPACDUGVYFAFU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.49
Rot. Bonds6

About 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine

2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine (PubChem CID 115118079) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine
PubChem CID115118079
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine
SMILESCCOc1ccc(CCNC2CCCCC2N)cc1
InChIInChI=1S/C16H26N2O/c1-2-19-14-9-7-13(8-10-14)11-12-18-16-6-4-3-5-15(16)17/h7-10,15-16,18H,2-6,11-12,17H2,1H3
InChIKeyYKPACDUGVYFAFU-UHFFFAOYSA-N
XLogP2.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine
CID 115118064
2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 115118100
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
2-[(4-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 82185878
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine (CID 115118079) is 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine is CCOc1ccc(CCNC2CCCCC2N)cc1.
What is the InChIKey of 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine?
The InChIKey is YKPACDUGVYFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-19-14-9-7-13(8-10-14)11-12-18-16-6-4-3-5-15(16)17/h7-10,15-16,18H,2-6,11-12,17H2,1H3.
What are the key properties of 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine?
2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-ethoxyphenyl)ethyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 115118079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).