1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C16H18Cl2N2 — CID 115375945

IUPAC1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-11(15-8-7-12(17)9-16(15)18)19-13-5-4-6-14(10-13)20(2)3/h4-11,19H,1-3H3
InChIKeyZKEMFFGEMMPUCW-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.23
Rot. Bonds4

About 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115375945) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115375945
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-11(15-8-7-12(17)9-16(15)18)19-13-5-4-6-14(10-13)20(2)3/h4-11,19H,1-3H3
InChIKeyZKEMFFGEMMPUCW-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

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Related Compounds

1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518897
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
3-N,3-N-dimethyl-1-N-[1-(2-nitrophenyl)ethyl]benzene-1,3-diamine
CID 115376017
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115375945) is 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CC(Nc1cccc(N(C)C)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is ZKEMFFGEMMPUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-11(15-8-7-12(17)9-16(15)18)19-13-5-4-6-14(10-13)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine 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 1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115375945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).