4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline

C17H21ClN2 — CID 63785395

IUPAC4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)ccc1CCN
InChIInChI=1S/C17H21ClN2/c1-13-11-17(8-5-15(13)9-10-19)20(2)12-14-3-6-16(18)7-4-14/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyVPRISWYHKBHBGC-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.79
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline

4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline (PubChem CID 63785395) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
PubChem CID63785395
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)ccc1CCN
InChIInChI=1S/C17H21ClN2/c1-13-11-17(8-5-15(13)9-10-19)20(2)12-14-3-6-16(18)7-4-14/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyVPRISWYHKBHBGC-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline 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)-N-benzyl-N,3-dimethylaniline
CID 55237346
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-[4-[(4-chlorophenyl)methylsulfanyl]-2-methylphenyl]ethanamine
CID 114792485
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
CID 114238540

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline (CID 63785395) is 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline is Cc1cc(N(C)Cc2ccc(Cl)cc2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline?
The InChIKey is VPRISWYHKBHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-11-17(8-5-15(13)9-10-19)20(2)12-14-3-6-16(18)7-4-14/h3-8,11H,9-10,12,19H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline?
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline has a molecular weight of 288.82 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 63785395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).