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

C17H27NO — CID 105057827

IUPAC2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
SMILESCCC1CCCCC1NC(C)(CO)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-14-9-7-8-12-16(14)18-17(2,13-19)15-10-5-4-6-11-15/h4-6,10-11,14,16,18-19H,3,7-9,12-13H2,1-2H3
InChIKeyXMQBGEHHDXWUKX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds5

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

2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol (PubChem CID 105057827) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
PubChem CID105057827
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
SMILESCCC1CCCCC1NC(C)(CO)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-14-9-7-8-12-16(14)18-17(2,13-19)15-10-5-4-6-11-15/h4-6,10-11,14,16,18-19H,3,7-9,12-13H2,1-2H3
InChIKeyXMQBGEHHDXWUKX-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-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907205
2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907198
2-(oxolan-3-ylamino)-2-phenylpropan-1-ol
CID 115920302
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-ethyl-N-(3-methylpentan-3-yl)cyclohexan-1-amine
CID 106328263
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
CID 106364533
2-[(2-ethylcyclohexyl)amino]-2-methylpropanamide
CID 63863215
2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid
CID 114998299

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol (CID 105057827) is 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol is CCC1CCCCC1NC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The InChIKey is XMQBGEHHDXWUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-9-7-8-12-16(14)18-17(2,13-19)15-10-5-4-6-11-15/h4-6,10-11,14,16,18-19H,3,7-9,12-13H2,1-2H3.
What are the key properties of 2-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol?
2-[(2-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-[(2-ethylcyclohexyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105057827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).