1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol

C17H27NO — CID 81301234

IUPAC1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
SMILESCC(C)C1CCCCC1NCC(O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13(2)15-10-6-7-11-16(15)18-12-17(19)14-8-4-3-5-9-14/h3-5,8-9,13,15-19H,6-7,10-12H2,1-2H3
InChIKeySNVSUWAPBRYKFU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds5

About 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol

1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol (PubChem CID 81301234) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
PubChem CID81301234
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
SMILESCC(C)C1CCCCC1NCC(O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13(2)15-10-6-7-11-16(15)18-12-17(19)14-8-4-3-5-9-14/h3-5,8-9,13,15-19H,6-7,10-12H2,1-2H3
InChIKeySNVSUWAPBRYKFU-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
CID 81339661
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358372
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81328585
2-(3-methylbutan-2-ylamino)-1-phenylethanol
CID 12904820
(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 6926815

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
The IUPAC name of 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol (CID 81301234) is 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol is CC(C)C1CCCCC1NCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
The InChIKey is SNVSUWAPBRYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-10-6-7-11-16(15)18-12-17(19)14-8-4-3-5-9-14/h3-5,8-9,13,15-19H,6-7,10-12H2,1-2H3.
What are the key properties of 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol?
1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol is sourced from PubChem (CID 81301234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).