1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine

C14H22N2O — CID 79459001

IUPAC1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
SMILESCCOc1ccccc1NC1CCCC(N)C1
InChIInChI=1S/C14H22N2O/c1-2-17-14-9-4-3-8-13(14)16-12-7-5-6-11(15)10-12/h3-4,8-9,11-12,16H,2,5-7,10,15H2,1H3
InChIKeySMPPHJGBGTXBAK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.77
Rot. Bonds4

About 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine

1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine (PubChem CID 79459001) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
PubChem CID79459001
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
SMILESCCOc1ccccc1NC1CCCC(N)C1
InChIInChI=1S/C14H22N2O/c1-2-17-14-9-4-3-8-13(14)16-12-7-5-6-11(15)10-12/h3-4,8-9,11-12,16H,2,5-7,10,15H2,1H3
InChIKeySMPPHJGBGTXBAK-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
CID 102903718
1-N-(2-tert-butylphenyl)cyclohexane-1,3-diamine
CID 79459321
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625
3-(2-ethoxyphenyl)cycloheptan-1-amine
CID 64505330
N-(2-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465704
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
N-cyclohexyl-2-propoxyaniline
CID 43682292
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine (CID 79459001) is 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine is CCOc1ccccc1NC1CCCC(N)C1.
What is the InChIKey of 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine?
The InChIKey is SMPPHJGBGTXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-17-14-9-4-3-8-13(14)16-12-7-5-6-11(15)10-12/h3-4,8-9,11-12,16H,2,5-7,10,15H2,1H3.
What are the key properties of 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine?
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).