2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C19H31NO — CID 63493814

IUPAC2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCc1ccc(CN(C)CC2CC(C(C)C)CCC2O)cc1
InChIInChI=1S/C19H31NO/c1-14(2)17-9-10-19(21)18(11-17)13-20(4)12-16-7-5-15(3)6-8-16/h5-8,14,17-19,21H,9-13H2,1-4H3
InChIKeyKQTRTPVVSATHEY-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.86
Rot. Bonds5

About 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63493814) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID63493814
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCc1ccc(CN(C)CC2CC(C(C)C)CCC2O)cc1
InChIInChI=1S/C19H31NO/c1-14(2)17-9-10-19(21)18(11-17)13-20(4)12-16-7-5-15(3)6-8-16/h5-8,14,17-19,21H,9-13H2,1-4H3
InChIKeyKQTRTPVVSATHEY-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703993
2-[[methyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708502
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708323
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609412
2-[[bis(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105830
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63494407
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55106445
N-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 55093693
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
CID 64736267
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707768

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 63493814) is 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol is Cc1ccc(CN(C)CC2CC(C(C)C)CCC2O)cc1.
What is the InChIKey of 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KQTRTPVVSATHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17-9-10-19(21)18(11-17)13-20(4)12-16-7-5-15(3)6-8-16/h5-8,14,17-19,21H,9-13H2,1-4H3.
What are the key properties of 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63493814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).