(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine

C12H19N — CID 130971593

IUPAC(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
SMILESCCc1c(C)cccc1C[C@@H](C)N
InChIInChI=1S/C12H19N/c1-4-12-9(2)6-5-7-11(12)8-10(3)13/h5-7,10H,4,8,13H2,1-3H3/t10-/m1/s1
InChIKeyNPQMVACMHMOJGY-SNVBAGLBSA-N
MW177.29 g/mol
LogP2.45
Rot. Bonds3

About (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine

(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine (PubChem CID 130971593) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
PubChem CID130971593
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
SMILESCCc1c(C)cccc1C[C@@H](C)N
InChIInChI=1S/C12H19N/c1-4-12-9(2)6-5-7-11(12)8-10(3)13/h5-7,10H,4,8,13H2,1-3H3/t10-/m1/s1
InChIKeyNPQMVACMHMOJGY-SNVBAGLBSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine 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

1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
CID 171831646
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885578
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine (CID 130971593) is (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine is CCc1c(C)cccc1C[C@@H](C)N.
What is the InChIKey of (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine?
The InChIKey is NPQMVACMHMOJGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N/c1-4-12-9(2)6-5-7-11(12)8-10(3)13/h5-7,10H,4,8,13H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine?
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine is sourced from PubChem (CID 130971593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).