[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol

C17H27NO — CID 62527967

IUPAC[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCC(C)c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14-8-10-17(13-19,11-9-14)18-12-15(2)16-6-4-3-5-7-16/h3-7,14-15,18-19H,8-13H2,1-2H3
InChIKeyUNBIPLGSEWMNFY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.32
Rot. Bonds5

About [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol

[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol (PubChem CID 62527967) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
PubChem CID62527967
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCC(C)c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14-8-10-17(13-19,11-9-14)18-12-15(2)16-6-4-3-5-7-16/h3-7,14-15,18-19H,8-13H2,1-2H3
InChIKeyUNBIPLGSEWMNFY-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
CID 81134310
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol
CID 62552347
4-[1-hydroxy-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethyl]benzonitrile
CID 62551133
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 63900670
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol (CID 62527967) is [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol is CC1CCC(CO)(NCC(C)c2ccccc2)CC1.
What is the InChIKey of [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol?
The InChIKey is UNBIPLGSEWMNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-8-10-17(13-19,11-9-14)18-12-15(2)16-6-4-3-5-7-16/h3-7,14-15,18-19H,8-13H2,1-2H3.
What are the key properties of [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol?
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol is sourced from PubChem (CID 62527967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).