4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol

C17H27NO — CID 115149528

IUPAC4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
SMILESCc1cc(C)c(CN(C)C2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-9-13(2)17(14(3)10-12)11-18(4)15-5-7-16(19)8-6-15/h9-10,15-16,19H,5-8,11H2,1-4H3
InChIKeyKHLIRGQHVFJPCG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.35
Rot. Bonds3

About 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol

4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol (PubChem CID 115149528) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
PubChem CID115149528
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
SMILESCc1cc(C)c(CN(C)C2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-12-9-13(2)17(14(3)10-12)11-18(4)15-5-7-16(19)8-6-15/h9-10,15-16,19H,5-8,11H2,1-4H3
InChIKeyKHLIRGQHVFJPCG-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
N-methyl-1-propan-2-yl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 86879133
4-(2-methoxy-N,4,6-trimethylanilino)cyclohexan-1-ol
CID 115149449
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798
2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 102637218
N'-cyclopropyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62544891
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
3-[cyclopropyl-[(2,4,6-trimethylphenyl)methyl]amino]propanethioamide
CID 62545066
4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
CID 79115828
4-(2,4,6-trimethylphenyl)sulfanylcyclohexan-1-ol
CID 117034461
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol (CID 115149528) is 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol is Cc1cc(C)c(CN(C)C2CCC(O)CC2)c(C)c1.
What is the InChIKey of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol?
The InChIKey is KHLIRGQHVFJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-13(2)17(14(3)10-12)11-18(4)15-5-7-16(19)8-6-15/h9-10,15-16,19H,5-8,11H2,1-4H3.
What are the key properties of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol?
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 115149528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).