2-(2-ethyl-4-methylphenyl)-N-methylethanamine

C12H19N — CID 142812232

IUPAC2-(2-ethyl-4-methylphenyl)-N-methylethanamine
SMILESCCc1cc(C)ccc1CCNC
InChIInChI=1S/C12H19N/c1-4-11-9-10(2)5-6-12(11)7-8-13-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyUVGYYNLRZFNUFR-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-ethyl-4-methylphenyl)-N-methylethanamine

2-(2-ethyl-4-methylphenyl)-N-methylethanamine (PubChem CID 142812232) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(2-ethyl-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-4-methylphenyl)-N-methylethanamine
PubChem CID142812232
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(2-ethyl-4-methylphenyl)-N-methylethanamine
SMILESCCc1cc(C)ccc1CCNC
InChIInChI=1S/C12H19N/c1-4-11-9-10(2)5-6-12(11)7-8-13-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyUVGYYNLRZFNUFR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
CID 117327514
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-ethyl-4-methylphenyl)-N-methylethanamine (CID 142812232) is 2-(2-ethyl-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethyl-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethyl-4-methylphenyl)-N-methylethanamine is CCc1cc(C)ccc1CCNC.
What is the InChIKey of 2-(2-ethyl-4-methylphenyl)-N-methylethanamine?
The InChIKey is UVGYYNLRZFNUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11-9-10(2)5-6-12(11)7-8-13-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 2-(2-ethyl-4-methylphenyl)-N-methylethanamine?
2-(2-ethyl-4-methylphenyl)-N-methylethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 142812232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).