[methyl-[2-(3-methylphenyl)ethyl]amino]methanol

C11H17NO — CID 115229547

IUPAC[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
SMILESCc1cccc(CCN(C)CO)c1
InChIInChI=1S/C11H17NO/c1-10-4-3-5-11(8-10)6-7-12(2)9-13/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyXIMYISFPLWLLIL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.42
Rot. Bonds4

About [methyl-[2-(3-methylphenyl)ethyl]amino]methanol

[methyl-[2-(3-methylphenyl)ethyl]amino]methanol (PubChem CID 115229547) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [methyl-[2-(3-methylphenyl)ethyl]amino]methanol.

Molecular Properties

Compound Name[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
PubChem CID115229547
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
SMILESCc1cccc(CCN(C)CO)c1
InChIInChI=1S/C11H17NO/c1-10-4-3-5-11(8-10)6-7-12(2)9-13/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyXIMYISFPLWLLIL-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.42
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

ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
2,2-dimethyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoic acid
CID 115136684
(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
CID 28635005
3,3-dimethyl-4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoic acid
CID 115220460
methyl 4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoate
CID 115233522
2-[methyl-[2-(3-methylphenyl)ethyl]amino]-2-oxoacetic acid
CID 82127746
N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
CID 142389999
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756

Frequently Asked Questions

What is the IUPAC name of [methyl-[2-(3-methylphenyl)ethyl]amino]methanol?
The IUPAC name of [methyl-[2-(3-methylphenyl)ethyl]amino]methanol (CID 115229547) is [methyl-[2-(3-methylphenyl)ethyl]amino]methanol.
What is the SMILES notation for [methyl-[2-(3-methylphenyl)ethyl]amino]methanol?
The canonical SMILES for [methyl-[2-(3-methylphenyl)ethyl]amino]methanol is Cc1cccc(CCN(C)CO)c1.
What is the InChIKey of [methyl-[2-(3-methylphenyl)ethyl]amino]methanol?
The InChIKey is XIMYISFPLWLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-4-3-5-11(8-10)6-7-12(2)9-13/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of [methyl-[2-(3-methylphenyl)ethyl]amino]methanol?
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-(3-methylphenyl)ethyl]amino]methanol is sourced from PubChem (CID 115229547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).