[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol

C18H29NO — CID 62552810

IUPAC[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
SMILESCc1cc(C)c(CNC2(CO)CCC(C)CC2)cc1C
InChIInChI=1S/C18H29NO/c1-13-5-7-18(12-20,8-6-13)19-11-17-10-15(3)14(2)9-16(17)4/h9-10,13,19-20H,5-8,11-12H2,1-4H3
InChIKeyOCDVJJBEPCWSGG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.64
Rot. Bonds4

About [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol

[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62552810) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
PubChem CID62552810
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
SMILESCc1cc(C)c(CNC2(CO)CCC(C)CC2)cc1C
InChIInChI=1S/C18H29NO/c1-13-5-7-18(12-20,8-6-13)19-11-17-10-15(3)14(2)9-16(17)4/h9-10,13,19-20H,5-8,11-12H2,1-4H3
InChIKeyOCDVJJBEPCWSGG-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
CID 83089475
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
[1-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-4-methylcyclohexyl]methanol
CID 62526215
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol (CID 62552810) is [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol is Cc1cc(C)c(CNC2(CO)CCC(C)CC2)cc1C.
What is the InChIKey of [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is OCDVJJBEPCWSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-5-7-18(12-20,8-6-13)19-11-17-10-15(3)14(2)9-16(17)4/h9-10,13,19-20H,5-8,11-12H2,1-4H3.
What are the key properties of [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol?
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62552810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).