2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol

C12H19NO — CID 29083030

IUPAC2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
SMILESCC[C@@H](NCCO)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-12(13-8-9-14)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3/t12-/m1/s1
InChIKeyVCUSGCIYPBDOIQ-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds5

About 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol

2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol (PubChem CID 29083030) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
PubChem CID29083030
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
SMILESCC[C@@H](NCCO)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-12(13-8-9-14)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3/t12-/m1/s1
InChIKeyVCUSGCIYPBDOIQ-GFCCVEGCSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
CID 81411321
1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424403
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
tert-butyl N-[3-[1-(4-methylphenyl)propylamino]propyl]carbamate
CID 103781079
1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43178454

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol (CID 29083030) is 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol is CC[C@@H](NCCO)c1ccc(C)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol?
The InChIKey is VCUSGCIYPBDOIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(13-8-9-14)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol?
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol is sourced from PubChem (CID 29083030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).