N-ethyl-1-(2-ethylphenyl)ethanamine

C12H19N — CID 115781037

IUPACN-ethyl-1-(2-ethylphenyl)ethanamine
SMILESCCNC(C)c1ccccc1CC
InChIInChI=1S/C12H19N/c1-4-11-8-6-7-9-12(11)10(3)13-5-2/h6-10,13H,4-5H2,1-3H3
InChIKeyVJXIOVBLWNZZCL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.92
Rot. Bonds4

About N-ethyl-1-(2-ethylphenyl)ethanamine

N-ethyl-1-(2-ethylphenyl)ethanamine (PubChem CID 115781037) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylphenyl)ethanamine
PubChem CID115781037
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-ethyl-1-(2-ethylphenyl)ethanamine
SMILESCCNC(C)c1ccccc1CC
InChIInChI=1S/C12H19N/c1-4-11-8-6-7-9-12(11)10(3)13-5-2/h6-10,13H,4-5H2,1-3H3
InChIKeyVJXIOVBLWNZZCL-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-1-(2-ethylphenyl)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

N'-[1-(2-ethylphenyl)ethyl]butane-1,4-diamine
CID 177368271
N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine
CID 104995728
N-ethyl-1-(2-ethylphenyl)-2,2-dimethylpropan-1-amine
CID 115854373
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868
N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene
CID 67736887
N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
CID 104736901
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
CID 60885151
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
2-(2-ethylphenyl)-N-methylpropan-1-amine
CID 105425338
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-ethylphenyl)ethanamine (CID 115781037) is N-ethyl-1-(2-ethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylphenyl)ethanamine is CCNC(C)c1ccccc1CC.
What is the InChIKey of N-ethyl-1-(2-ethylphenyl)ethanamine?
The InChIKey is VJXIOVBLWNZZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-8-6-7-9-12(11)10(3)13-5-2/h6-10,13H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylphenyl)ethanamine?
N-ethyl-1-(2-ethylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylphenyl)ethanamine is sourced from PubChem (CID 115781037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).