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

C17H27NO — CID 64750698

IUPAC3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol
SMILESCc1ccccc1CN(C)C1C(C)CC(C)CC1O
InChIInChI=1S/C17H27NO/c1-12-9-14(3)17(16(19)10-12)18(4)11-15-8-6-5-7-13(15)2/h5-8,12,14,16-17,19H,9-11H2,1-4H3
InChIKeyLRXIMAHXBTUEFR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.22
Rot. Bonds3

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

3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol (PubChem CID 64750698) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol
PubChem CID64750698
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol
SMILESCc1ccccc1CN(C)C1C(C)CC(C)CC1O
InChIInChI=1S/C17H27NO/c1-12-9-14(3)17(16(19)10-12)18(4)11-15-8-6-5-7-13(15)2/h5-8,12,14,16-17,19H,9-11H2,1-4H3
InChIKeyLRXIMAHXBTUEFR-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
CID 64751671
2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64752913
1-N,3-N-dimethyl-3-N-[(2-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643894
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 116654477
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
N,4-dimethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-amine
CID 62611056
4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613387
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol (CID 64750698) is 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol is Cc1ccccc1CN(C)C1C(C)CC(C)CC1O.
What is the InChIKey of 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol?
The InChIKey is LRXIMAHXBTUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-14(3)17(16(19)10-12)18(4)11-15-8-6-5-7-13(15)2/h5-8,12,14,16-17,19H,9-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol?
3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.22, 3 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-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 64750698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).