2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol

C19H31NO — CID 63471920

IUPAC2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN(C)CC2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-7-16-10-12-18(13-11-16)19(21)15-20(2)14-17-8-5-4-6-9-17/h10-13,17,19,21H,3-9,14-15H2,1-2H3
InChIKeyDCOBXJDRLXUZMW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.18
Rot. Bonds7

About 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol

2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol (PubChem CID 63471920) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
PubChem CID63471920
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN(C)CC2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-7-16-10-12-18(13-11-16)19(21)15-20(2)14-17-8-5-4-6-9-17/h10-13,17,19,21H,3-9,14-15H2,1-2H3
InChIKeyDCOBXJDRLXUZMW-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
CID 81061903

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol (CID 63471920) is 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN(C)CC2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
The InChIKey is DCOBXJDRLXUZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-7-16-10-12-18(13-11-16)19(21)15-20(2)14-17-8-5-4-6-9-17/h10-13,17,19,21H,3-9,14-15H2,1-2H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol?
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63471920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).