2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline

C16H18Cl2N2 — CID 43758692

IUPAC2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18Cl2N2/c1-11(12-4-7-14(8-5-12)20(2)3)19-16-9-6-13(17)10-15(16)18/h4-11,19H,1-3H3
InChIKeyXTXYHWJACZNECC-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.23
Rot. Bonds4

About 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline

2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline (PubChem CID 43758692) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
PubChem CID43758692
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18Cl2N2/c1-11(12-4-7-14(8-5-12)20(2)3)19-16-9-6-13(17)10-15(16)18/h4-11,19H,1-3H3
InChIKeyXTXYHWJACZNECC-UHFFFAOYSA-N
XLogP5.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
CID 43772756
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
2-[4-[1-(2,4-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 43758671

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline (CID 43758692) is 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline is CC(Nc1ccc(Cl)cc1Cl)c1ccc(N(C)C)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
The InChIKey is XTXYHWJACZNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-11(12-4-7-14(8-5-12)20(2)3)19-16-9-6-13(17)10-15(16)18/h4-11,19H,1-3H3.
What are the key properties of 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline?
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline has a molecular weight of 309.24 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline is sourced from PubChem (CID 43758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).