2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline

C16H19ClN2 — CID 114860392

IUPAC2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(Cl)cc1CCN
InChIInChI=1S/C16H19ClN2/c1-2-19(15-6-4-3-5-7-15)16-9-8-14(17)12-13(16)10-11-18/h3-9,12H,2,10-11,18H2,1H3
InChIKeyCAJDCJHKASVBRI-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline

2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline (PubChem CID 114860392) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
PubChem CID114860392
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(Cl)cc1CCN
InChIInChI=1S/C16H19ClN2/c1-2-19(15-6-4-3-5-7-15)16-9-8-14(17)12-13(16)10-11-18/h3-9,12H,2,10-11,18H2,1H3
InChIKeyCAJDCJHKASVBRI-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline 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

4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
5-chloro-2-(N-ethylanilino)benzonitrile
CID 63509917
5-chloro-2-(N-ethylanilino)benzoic acid
CID 63512751
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
2-(bromomethyl)-N-butyl-4-chloro-N-phenylaniline
CID 107084108
[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
2-(2-aminoethyl)-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861049
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline (CID 114860392) is 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline is CCN(c1ccccc1)c1ccc(Cl)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline?
The InChIKey is CAJDCJHKASVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-19(15-6-4-3-5-7-15)16-9-8-14(17)12-13(16)10-11-18/h3-9,12H,2,10-11,18H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline?
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline has a molecular weight of 274.80 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline is sourced from PubChem (CID 114860392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).