2-(2-cyclohexylethylamino)-1-phenylethanol

C16H25NO — CID 60752779

IUPAC2-(2-cyclohexylethylamino)-1-phenylethanol
SMILESOC(CNCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c18-16(15-9-5-2-6-10-15)13-17-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2
InChIKeyPOXDDZDVRYOCON-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-cyclohexylethylamino)-1-phenylethanol

2-(2-cyclohexylethylamino)-1-phenylethanol (PubChem CID 60752779) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)-1-phenylethanol
PubChem CID60752779
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-cyclohexylethylamino)-1-phenylethanol
SMILESOC(CNCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c18-16(15-9-5-2-6-10-15)13-17-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2
InChIKeyPOXDDZDVRYOCON-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
2-(2-cyclohexyloxyethylamino)-1-phenylethanol
CID 55259175
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-cyclopentyl-1-phenylethanol
CID 15629098
4-[2-(3-cyclopentylpropylamino)-1-hydroxyethyl]benzonitrile
CID 103773117
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
1-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 126424043
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylamino)-1-phenylethanol?
The IUPAC name of 2-(2-cyclohexylethylamino)-1-phenylethanol (CID 60752779) is 2-(2-cyclohexylethylamino)-1-phenylethanol.
What is the SMILES notation for 2-(2-cyclohexylethylamino)-1-phenylethanol?
The canonical SMILES for 2-(2-cyclohexylethylamino)-1-phenylethanol is OC(CNCCC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(2-cyclohexylethylamino)-1-phenylethanol?
The InChIKey is POXDDZDVRYOCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16(15-9-5-2-6-10-15)13-17-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2.
What are the key properties of 2-(2-cyclohexylethylamino)-1-phenylethanol?
2-(2-cyclohexylethylamino)-1-phenylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)-1-phenylethanol is sourced from PubChem (CID 60752779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).