2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline

C16H18Cl2N2 — CID 72566162

IUPAC2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
SMILESCC(NC(C)c1ccc(Cl)c(N)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-10(12-4-3-5-14(17)8-12)20-11(2)13-6-7-15(18)16(19)9-13/h3-11,20H,19H2,1-2H3
InChIKeyNLAPZJWTOIYFAW-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.99
Rot. Bonds4

About 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline

2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline (PubChem CID 72566162) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
PubChem CID72566162
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
SMILESCC(NC(C)c1ccc(Cl)c(N)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-10(12-4-3-5-14(17)8-12)20-11(2)13-6-7-15(18)16(19)9-13/h3-11,20H,19H2,1-2H3
InChIKeyNLAPZJWTOIYFAW-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
2-[1-[1-(3-chlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710455
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867952
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103578530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline?
The IUPAC name of 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline (CID 72566162) is 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline.
What is the SMILES notation for 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline?
The canonical SMILES for 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline is CC(NC(C)c1ccc(Cl)c(N)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline?
The InChIKey is NLAPZJWTOIYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-10(12-4-3-5-14(17)8-12)20-11(2)13-6-7-15(18)16(19)9-13/h3-11,20H,19H2,1-2H3.
What are the key properties of 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline?
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline has a molecular weight of 309.24 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline is sourced from PubChem (CID 72566162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).