[(2,5-dimethylphenyl)methyl-methylamino]methanol

C11H17NO — CID 115229092

IUPAC[(2,5-dimethylphenyl)methyl-methylamino]methanol
SMILESCc1ccc(C)c(CN(C)CO)c1
InChIInChI=1S/C11H17NO/c1-9-4-5-10(2)11(6-9)7-12(3)8-13/h4-6,13H,7-8H2,1-3H3
InChIKeyFCCKGXSHCVSDCU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.69
Rot. Bonds3

About [(2,5-dimethylphenyl)methyl-methylamino]methanol

[(2,5-dimethylphenyl)methyl-methylamino]methanol (PubChem CID 115229092) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(2,5-dimethylphenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(2,5-dimethylphenyl)methyl-methylamino]methanol
PubChem CID115229092
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(2,5-dimethylphenyl)methyl-methylamino]methanol
SMILESCc1ccc(C)c(CN(C)CO)c1
InChIInChI=1S/C11H17NO/c1-9-4-5-10(2)11(6-9)7-12(3)8-13/h4-6,13H,7-8H2,1-3H3
InChIKeyFCCKGXSHCVSDCU-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005

Frequently Asked Questions

What is the IUPAC name of [(2,5-dimethylphenyl)methyl-methylamino]methanol?
The IUPAC name of [(2,5-dimethylphenyl)methyl-methylamino]methanol (CID 115229092) is [(2,5-dimethylphenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(2,5-dimethylphenyl)methyl-methylamino]methanol?
The canonical SMILES for [(2,5-dimethylphenyl)methyl-methylamino]methanol is Cc1ccc(C)c(CN(C)CO)c1.
What is the InChIKey of [(2,5-dimethylphenyl)methyl-methylamino]methanol?
The InChIKey is FCCKGXSHCVSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-5-10(2)11(6-9)7-12(3)8-13/h4-6,13H,7-8H2,1-3H3.
What are the key properties of [(2,5-dimethylphenyl)methyl-methylamino]methanol?
[(2,5-dimethylphenyl)methyl-methylamino]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dimethylphenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).