2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol

C17H27NO — CID 115907205

IUPAC2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
SMILESCCC1CCCC(NC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-3-14-8-7-11-16(12-14)18-17(2,13-19)15-9-5-4-6-10-15/h4-6,9-10,14,16,18-19H,3,7-8,11-13H2,1-2H3
InChIKeyVUISOCBITPJKHG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds5

About 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol

2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol (PubChem CID 115907205) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
PubChem CID115907205
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
SMILESCCC1CCCC(NC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-3-14-8-7-11-16(12-14)18-17(2,13-19)15-9-5-4-6-10-15/h4-6,9-10,14,16,18-19H,3,7-8,11-13H2,1-2H3
InChIKeyVUISOCBITPJKHG-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907198
2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 105057827
2-(oxolan-3-ylamino)-2-phenylpropan-1-ol
CID 115920302
1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 111466864
3-(aminomethyl)-N-tritylcyclohexan-1-amine
CID 139972353
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
CID 61053941
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine
CID 64743368

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol (CID 115907205) is 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol is CCC1CCCC(NC(C)(CO)c2ccccc2)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The InChIKey is VUISOCBITPJKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-7-11-16(12-14)18-17(2,13-19)15-9-5-4-6-10-15/h4-6,9-10,14,16,18-19H,3,7-8,11-13H2,1-2H3.
What are the key properties of 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115907205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).