2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline

C17H21ClN2O — CID 81143432

IUPAC2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
SMILESCCNCc1ccc(N(C)c2cccc(OC)c2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-4-19-12-13-8-9-17(16(18)10-13)20(2)14-6-5-7-15(11-14)21-3/h5-11,19H,4,12H2,1-3H3
InChIKeyBKVVJJIPEZPFGQ-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.23
Rot. Bonds6

About 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline

2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline (PubChem CID 81143432) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
PubChem CID81143432
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
SMILESCCNCc1ccc(N(C)c2cccc(OC)c2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-4-19-12-13-8-9-17(16(18)10-13)20(2)14-6-5-7-15(11-14)21-3/h5-11,19H,4,12H2,1-3H3
InChIKeyBKVVJJIPEZPFGQ-UHFFFAOYSA-N
XLogP4.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline 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

2-chloro-4-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 81143433
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607
3-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-4-amine
CID 81246879
4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 105073319
5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 114925895
3-chloro-4-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 63088155
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
CID 55222140
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline (CID 81143432) is 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline is CCNCc1ccc(N(C)c2cccc(OC)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline?
The InChIKey is BKVVJJIPEZPFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-19-12-13-8-9-17(16(18)10-13)20(2)14-6-5-7-15(11-14)21-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline?
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline has a molecular weight of 304.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 81143432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).