2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C16H20ClN3 — CID 144618695

IUPAC2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc(N(C)C)cc2Cl)cc1
InChIInChI=1S/C16H20ClN3/c1-19(2)13-7-5-12(6-8-13)18-16-10-9-14(20(3)4)11-15(16)17/h5-11,18H,1-4H3
InChIKeyGCDKGCSKGPYUPE-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.22
Rot. Bonds4

About 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine

2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 144618695) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID144618695
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc(N(C)C)cc2Cl)cc1
InChIInChI=1S/C16H20ClN3/c1-19(2)13-7-5-12(6-8-13)18-16-10-9-14(20(3)4)11-15(16)17/h5-11,18H,1-4H3
InChIKeyGCDKGCSKGPYUPE-UHFFFAOYSA-N
XLogP4.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-Chlorophenyl)piperazine
CID 415628
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
4,4'-Bis(dimethylamino)diphenylamine
CID 69473
1-(2-Chlorophenyl)-4-hexylpiperazine
CID 3696771
3-Chlorodiphenylamine
CID 7545
Benzenamine, 2-chloro-N-methyl-
CID 136736
4-(2-(2-Chlorophenyl)diazenyl)-N,N-dimethylbenzenamine
CID 18167
2,6-Dichloro-N-phenylaniline
CID 84867
N-Phenyl-2-chloroaniline
CID 6425221
4-(3-Chlorophenylazo)-N,N-dimethylaniline
CID 19625
3-Chloro-4-(4-methylpiperazin-1-yl)aniline
CID 820343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 144618695) is 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2ccc(N(C)C)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is GCDKGCSKGPYUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-19(2)13-7-5-12(6-8-13)18-16-10-9-14(20(3)4)11-15(16)17/h5-11,18H,1-4H3.
What are the key properties of 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 289.81 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 144618695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).