1-(2,3-diethylphenyl)ethanamine

C12H19N — CID 130066606

IUPAC1-(2,3-diethylphenyl)ethanamine
SMILESCCc1cccc(C(C)N)c1CC
InChIInChI=1S/C12H19N/c1-4-10-7-6-8-12(9(3)13)11(10)5-2/h6-9H,4-5,13H2,1-3H3
InChIKeyYHDMQVVVJFRHOL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.83
Rot. Bonds3

About 1-(2,3-diethylphenyl)ethanamine

1-(2,3-diethylphenyl)ethanamine (PubChem CID 130066606) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2,3-diethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-diethylphenyl)ethanamine
PubChem CID130066606
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2,3-diethylphenyl)ethanamine
SMILESCCc1cccc(C(C)N)c1CC
InChIInChI=1S/C12H19N/c1-4-10-7-6-8-12(9(3)13)11(10)5-2/h6-9H,4-5,13H2,1-3H3
InChIKeyYHDMQVVVJFRHOL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-diethylphenyl)ethanamine 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-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
3-(1-aminoethyl)-2-ethylbenzoic acid
CID 55295988
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
1-(2,3-diethylphenyl)tetradecan-1-amine
CID 22761428
1-(2,3-diethylphenyl)dodecan-1-amine;hydrate
CID 173447961
1-(2,3-diethylphenyl)octadecan-1-amine;hydrochloride
CID 173450501
1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
CID 173450788
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
2-[(1S)-1-aminoethyl]-6-propylphenol
CID 130625361
1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
1-bromo-1-[3-(bromomethyl)-2-ethylphenyl]propan-2-one
CID 131495674
(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
CID 130713588

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylphenyl)ethanamine?
The IUPAC name of 1-(2,3-diethylphenyl)ethanamine (CID 130066606) is 1-(2,3-diethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-diethylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-diethylphenyl)ethanamine is CCc1cccc(C(C)N)c1CC.
What is the InChIKey of 1-(2,3-diethylphenyl)ethanamine?
The InChIKey is YHDMQVVVJFRHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-10-7-6-8-12(9(3)13)11(10)5-2/h6-9H,4-5,13H2,1-3H3.
What are the key properties of 1-(2,3-diethylphenyl)ethanamine?
1-(2,3-diethylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylphenyl)ethanamine is sourced from PubChem (CID 130066606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).