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

C15H17ClN2 — CID 78924406

IUPAC4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(CN)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-18(13-6-4-3-5-7-13)15-9-8-12(11-17)10-14(15)16/h3-10H,2,11,17H2,1H3
InChIKeyYMIWGOLVBAYIHC-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.96
Rot. Bonds4

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

4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline (PubChem CID 78924406) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
PubChem CID78924406
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(CN)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-2-18(13-6-4-3-5-7-13)15-9-8-12(11-17)10-14(15)16/h3-10H,2,11,17H2,1H3
InChIKeyYMIWGOLVBAYIHC-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-2-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
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
2-chloro-N-ethyl-4-[1-(methylamino)ethyl]-N-phenylaniline
CID 63533263
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
2-bromo-4-(chloromethyl)-N-ethyl-N-phenylaniline
CID 114062458
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 81151857

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline (CID 78924406) is 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline is CCN(c1ccccc1)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline?
The InChIKey is YMIWGOLVBAYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-18(13-6-4-3-5-7-13)15-9-8-12(11-17)10-14(15)16/h3-10H,2,11,17H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline?
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline has a molecular weight of 260.77 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline is sourced from PubChem (CID 78924406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).