3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol

C13H21NO — CID 116835502

IUPAC3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
SMILESCNCC(CO)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H21NO/c1-9-5-11(3)13(6-10(9)2)12(8-15)7-14-4/h5-6,12,14-15H,7-8H2,1-4H3
InChIKeyQSCSAXJLPKJKQM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.91
Rot. Bonds4

About 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol

3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol (PubChem CID 116835502) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
PubChem CID116835502
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
SMILESCNCC(CO)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H21NO/c1-9-5-11(3)13(6-10(9)2)12(8-15)7-14-4/h5-6,12,14-15H,7-8H2,1-4H3
InChIKeyQSCSAXJLPKJKQM-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
3-(methylamino)-2-pyridin-4-ylpropan-1-ol
CID 117246508
2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 116835544
N-methyl-2-pyridin-4-yl-2-(2,4,5-trimethylphenyl)ethanamine
CID 116824934

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol (CID 116835502) is 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol is CNCC(CO)c1cc(C)c(C)cc1C.
What is the InChIKey of 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol?
The InChIKey is QSCSAXJLPKJKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-5-11(3)13(6-10(9)2)12(8-15)7-14-4/h5-6,12,14-15H,7-8H2,1-4H3.
What are the key properties of 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol?
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 116835502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).