3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol

C19H31NO — CID 115998927

IUPAC3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
SMILESCC1(C)CC(NC(CO)Cc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C19H31NO/c1-18(2)11-17(12-19(3,4)14-18)20-16(13-21)10-15-8-6-5-7-9-15/h5-9,16-17,20-21H,10-14H2,1-4H3
InChIKeyFUUHZAKHGWVZOJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.78
Rot. Bonds5

About 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol

3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol (PubChem CID 115998927) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
PubChem CID115998927
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
SMILESCC1(C)CC(NC(CO)Cc2ccccc2)CC(C)(C)C1
InChIInChI=1S/C19H31NO/c1-18(2)11-17(12-19(3,4)14-18)20-16(13-21)10-15-8-6-5-7-9-15/h5-9,16-17,20-21H,10-14H2,1-4H3
InChIKeyFUUHZAKHGWVZOJ-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
2-[(5,5-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79958163
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol
CID 107862364
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
3-(1,4-diphenylbutan-2-ylamino)-1-methylcyclobutane-1-carboxylic acid
CID 166275225
2-[(4,4-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79948114

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol (CID 115998927) is 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol is CC1(C)CC(NC(CO)Cc2ccccc2)CC(C)(C)C1.
What is the InChIKey of 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
The InChIKey is FUUHZAKHGWVZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2)11-17(12-19(3,4)14-18)20-16(13-21)10-15-8-6-5-7-9-15/h5-9,16-17,20-21H,10-14H2,1-4H3.
What are the key properties of 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 115998927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).