[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol

C17H27NO — CID 55086844

IUPAC[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCCc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-15-7-5-11-17(13-15,14-19)18-12-6-10-16-8-3-2-4-9-16/h2-4,8-9,15,18-19H,5-7,10-14H2,1H3
InChIKeyYAOPZBQPBFCOSQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds6

About [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol

[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol (PubChem CID 55086844) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
PubChem CID55086844
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCCc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-15-7-5-11-17(13-15,14-19)18-12-6-10-16-8-3-2-4-9-16/h2-4,8-9,15,18-19H,5-7,10-14H2,1H3
InChIKeyYAOPZBQPBFCOSQ-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
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-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 65030361
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
CID 116789037
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
CID 66418709
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513
[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
CID 107235623

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol (CID 55086844) is [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol is CC1CCCC(CO)(NCCCc2ccccc2)C1.
What is the InChIKey of [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol?
The InChIKey is YAOPZBQPBFCOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15-7-5-11-17(13-15,14-19)18-12-6-10-16-8-3-2-4-9-16/h2-4,8-9,15,18-19H,5-7,10-14H2,1H3.
What are the key properties of [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol?
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol is sourced from PubChem (CID 55086844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).