3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol

C18H29NO — CID 64736267

IUPAC3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCc1ccc(CN(C)CC2C(C)CC(C)CC2O)cc1
InChIInChI=1S/C18H29NO/c1-13-5-7-16(8-6-13)11-19(4)12-17-15(3)9-14(2)10-18(17)20/h5-8,14-15,17-18,20H,9-12H2,1-4H3
InChIKeyUERSCABLOHVEMO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.47
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol

3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol (PubChem CID 64736267) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
PubChem CID64736267
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCc1ccc(CN(C)CC2C(C)CC(C)CC2O)cc1
InChIInChI=1S/C18H29NO/c1-13-5-7-16(8-6-13)11-19(4)12-17-15(3)9-14(2)10-18(17)20/h5-8,14-15,17-18,20H,9-12H2,1-4H3
InChIKeyUERSCABLOHVEMO-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
CID 64737587
3,5-dimethyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 64737262
2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64734697
3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
CID 65486914
3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735628
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64737060
N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64734849
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63493814
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol (CID 64736267) is 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol is Cc1ccc(CN(C)CC2C(C)CC(C)CC2O)cc1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is UERSCABLOHVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-5-7-16(8-6-13)11-19(4)12-17-15(3)9-14(2)10-18(17)20/h5-8,14-15,17-18,20H,9-12H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol?
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64736267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).