[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol

C18H29NO2 — CID 62551272

IUPAC[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H29NO2/c1-14(2)21-17-7-5-4-6-16(17)12-19-18(13-20)10-8-15(3)9-11-18/h4-7,14-15,19-20H,8-13H2,1-3H3
InChIKeyNTWMSJZCLVPYNH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.50
Rot. Bonds6

About [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol

[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62551272) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
PubChem CID62551272
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ccccc2OC(C)C)CC1
InChIInChI=1S/C18H29NO2/c1-14(2)21-17-7-5-4-6-16(17)12-19-18(13-20)10-8-15(3)9-11-18/h4-7,14-15,19-20H,8-13H2,1-3H3
InChIKeyNTWMSJZCLVPYNH-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 62553319
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol
CID 115924504
[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol
CID 103925415
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol (CID 62551272) is [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol is CC1CCC(CO)(NCc2ccccc2OC(C)C)CC1.
What is the InChIKey of [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is NTWMSJZCLVPYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)21-17-7-5-4-6-16(17)12-19-18(13-20)10-8-15(3)9-11-18/h4-7,14-15,19-20H,8-13H2,1-3H3.
What are the key properties of [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol?
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62551272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).