2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol

C13H22N2O — CID 115120911

IUPAC2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc(CCN(C)CC(N)CO)cc1
InChIInChI=1S/C13H22N2O/c1-11-3-5-12(6-4-11)7-8-15(2)9-13(14)10-16/h3-6,13,16H,7-10,14H2,1-2H3
InChIKeyFDTWMSVCZNNOTF-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.79
Rot. Bonds6

About 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol

2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol (PubChem CID 115120911) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
PubChem CID115120911
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc(CCN(C)CC(N)CO)cc1
InChIInChI=1S/C13H22N2O/c1-11-3-5-12(6-4-11)7-8-15(2)9-13(14)10-16/h3-6,13,16H,7-10,14H2,1-2H3
InChIKeyFDTWMSVCZNNOTF-UHFFFAOYSA-N
XLogP0.79
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[methyl-[2-(4-methylphenyl)ethyl]amino]butanoic acid
CID 115241858
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol
CID 115120992
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
CID 155582548

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol (CID 115120911) is 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol is Cc1ccc(CCN(C)CC(N)CO)cc1.
What is the InChIKey of 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is FDTWMSVCZNNOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-5-12(6-4-11)7-8-15(2)9-13(14)10-16/h3-6,13,16H,7-10,14H2,1-2H3.
What are the key properties of 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol?
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 115120911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).