[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol

C17H27NO — CID 62553320

IUPAC[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1cc(C)cc(CNC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13-4-6-17(12-19,7-5-13)18-11-16-9-14(2)8-15(3)10-16/h8-10,13,18-19H,4-7,11-12H2,1-3H3
InChIKeyZIHRBBAQBKZFTG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.33
Rot. Bonds4

About [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol

[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 62553320) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID62553320
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1cc(C)cc(CNC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13-4-6-17(12-19,7-5-13)18-11-16-9-14(2)8-15(3)10-16/h8-10,13,18-19H,4-7,11-12H2,1-3H3
InChIKeyZIHRBBAQBKZFTG-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
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[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-[(3-fluoro-5-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115980440
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol (CID 62553320) is [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol is Cc1cc(C)cc(CNC2(CO)CCC(C)CC2)c1.
What is the InChIKey of [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is ZIHRBBAQBKZFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-4-6-17(12-19,7-5-13)18-11-16-9-14(2)8-15(3)10-16/h8-10,13,18-19H,4-7,11-12H2,1-3H3.
What are the key properties of [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62553320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).