3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline

C20H28N2O2 — CID 143044166

IUPAC3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NCCc2ccc(OC)c(OC)c2)cc1CCN
InChIInChI=1S/C20H28N2O2/c1-4-16-6-7-18(14-17(16)9-11-21)22-12-10-15-5-8-19(23-2)20(13-15)24-3/h5-8,13-14,22H,4,9-12,21H2,1-3H3
InChIKeyXHKJLHFJRBYMQE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.42
Rot. Bonds9

About 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline

3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline (PubChem CID 143044166) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline
PubChem CID143044166
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NCCc2ccc(OC)c(OC)c2)cc1CCN
InChIInChI=1S/C20H28N2O2/c1-4-16-6-7-18(14-17(16)9-11-21)22-12-10-15-5-8-19(23-2)20(13-15)24-3/h5-8,13-14,22H,4,9-12,21H2,1-3H3
InChIKeyXHKJLHFJRBYMQE-UHFFFAOYSA-N
XLogP3.42
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]-3-methylbutanamide
CID 112984074
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(3-ethyl-4-methoxyanilino)propanoic acid
CID 98783832
2-(2,5-diethylphenyl)ethanamine
CID 117277667
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104532597

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline?
The IUPAC name of 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline (CID 143044166) is 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline.
What is the SMILES notation for 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline?
The canonical SMILES for 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline is CCc1ccc(NCCc2ccc(OC)c(OC)c2)cc1CCN.
What is the InChIKey of 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline?
The InChIKey is XHKJLHFJRBYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-16-6-7-18(14-17(16)9-11-21)22-12-10-15-5-8-19(23-2)20(13-15)24-3/h5-8,13-14,22H,4,9-12,21H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline?
3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline has a molecular weight of 328.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline is sourced from PubChem (CID 143044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).