1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol

C17H27NO — CID 112811309

IUPAC1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
SMILESCCN(CC(O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-2-18(16-11-7-4-8-12-16)14-17(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3
InChIKeyZGWWQBTXSZLNEB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.24
Rot. Bonds6

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

1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol (PubChem CID 112811309) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
PubChem CID112811309
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
SMILESCCN(CC(O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-2-18(16-11-7-4-8-12-16)14-17(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3
InChIKeyZGWWQBTXSZLNEB-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 42837050
1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
CID 43165783
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
CID 43794247
(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 2392576
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46006889
N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol (CID 112811309) is 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol is CCN(CC(O)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is ZGWWQBTXSZLNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18(16-11-7-4-8-12-16)14-17(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol?
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 112811309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).