2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline

C17H20Cl2N2 — CID 63783609

IUPAC2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1Cl)N(C)c1cccc(Cl)c1CCN
InChIInChI=1S/C17H20Cl2N2/c1-12(13-6-3-4-7-15(13)18)21(2)17-9-5-8-16(19)14(17)10-11-20/h3-9,12H,10-11,20H2,1-2H3
InChIKeyQHCOVDBVYSKPSC-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline

2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline (PubChem CID 63783609) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
PubChem CID63783609
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1Cl)N(C)c1cccc(Cl)c1CCN
InChIInChI=1S/C17H20Cl2N2/c1-12(13-6-3-4-7-15(13)18)21(2)17-9-5-8-16(19)14(17)10-11-20/h3-9,12H,10-11,20H2,1-2H3
InChIKeyQHCOVDBVYSKPSC-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
2-chloro-6-[1-(2-chlorophenyl)ethyl-methylamino]benzonitrile
CID 63510170
2-(2-aminoethyl)-3-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63959947
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 107926195
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 63786189
3-N-[1-(2-chlorophenyl)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80808517
2-bromo-6-[1-(2-chlorophenyl)ethyl-methylamino]benzenecarbothioamide
CID 114882370
2-(2-aminoethyl)-3-chloro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 55235413
5-amino-2-[1-(2-chlorophenyl)ethyl-methylamino]benzonitrile
CID 62978272

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline (CID 63783609) is 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline is CC(c1ccccc1Cl)N(C)c1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The InChIKey is QHCOVDBVYSKPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-12(13-6-3-4-7-15(13)18)21(2)17-9-5-8-16(19)14(17)10-11-20/h3-9,12H,10-11,20H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline has a molecular weight of 323.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 63783609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).