4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol

C16H25NO — CID 115149515

IUPAC4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCc1ccc(C)c(CN(C)C2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO/c1-12-4-5-13(2)14(10-12)11-17(3)15-6-8-16(18)9-7-15/h4-5,10,15-16,18H,6-9,11H2,1-3H3
InChIKeyGDDQAUSMDXOYGR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.04
Rot. Bonds3

About 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol

4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 115149515) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID115149515
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCc1ccc(C)c(CN(C)C2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO/c1-12-4-5-13(2)14(10-12)11-17(3)15-6-8-16(18)9-7-15/h4-5,10,15-16,18H,6-9,11H2,1-3H3
InChIKeyGDDQAUSMDXOYGR-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
CID 115149528
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82983002
3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol
CID 65174483
N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
CID 131201785
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62538681

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol (CID 115149515) is 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol is Cc1ccc(C)c(CN(C)C2CCC(O)CC2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is GDDQAUSMDXOYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-5-13(2)14(10-12)11-17(3)15-6-8-16(18)9-7-15/h4-5,10,15-16,18H,6-9,11H2,1-3H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol?
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).