[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol

C16H25NO — CID 81411898

IUPAC[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCc2ccccc2)CCCCC1
InChIInChI=1S/C16H25NO/c18-14-16(10-5-2-6-11-16)13-17-12-9-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2
InChIKeyCQRYNRZSQOCVHP-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.76
Rot. Bonds6

About [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol

[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol (PubChem CID 81411898) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
PubChem CID81411898
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCCc2ccccc2)CCCCC1
InChIInChI=1S/C16H25NO/c18-14-16(10-5-2-6-11-16)13-17-12-9-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2
InChIKeyCQRYNRZSQOCVHP-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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

1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol (CID 81411898) is [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol is OCC1(CNCCc2ccccc2)CCCCC1.
What is the InChIKey of [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol?
The InChIKey is CQRYNRZSQOCVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-14-16(10-5-2-6-11-16)13-17-12-9-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2.
What are the key properties of [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol?
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenylethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81411898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).