1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol

C19H31NO — CID 79125696

IUPAC1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol
SMILESCCC1CCC(CN)(C(C)(O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C19H31NO/c1-5-16-8-10-19(13-20,11-9-16)18(4,21)17-7-6-14(2)15(3)12-17/h6-7,12,16,21H,5,8-11,13,20H2,1-4H3
InChIKeyFJJBGXHOOUGPIH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.06
Rot. Bonds4

About 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol

1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol (PubChem CID 79125696) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol
PubChem CID79125696
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol
SMILESCCC1CCC(CN)(C(C)(O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C19H31NO/c1-5-16-8-10-19(13-20,11-9-16)18(4,21)17-7-6-14(2)15(3)12-17/h6-7,12,16,21H,5,8-11,13,20H2,1-4H3
InChIKeyFJJBGXHOOUGPIH-UHFFFAOYSA-N
XLogP4.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(3,4-dimethylphenyl)ethanol
CID 79134930
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3-fluorophenyl)ethanol
CID 79128010
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol
CID 79125144
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119
1-[1-(aminomethyl)cyclooctyl]-1-(2,5-dimethylphenyl)ethanol
CID 80610563
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(3-fluorophenyl)ethanol
CID 79125136
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
CID 79128362
2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
CID 79126495
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125167
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63487191

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol (CID 79125696) is 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol is CCC1CCC(CN)(C(C)(O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is FJJBGXHOOUGPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-16-8-10-19(13-20,11-9-16)18(4,21)17-7-6-14(2)15(3)12-17/h6-7,12,16,21H,5,8-11,13,20H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol?
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 79125696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).