1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine

C8H11ClN2 — CID 89056981

IUPAC1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCl)cc1
InChIInChI=1S/C8H11ClN2/c1-11(2)8-5-3-7(10-9)4-6-8/h3-6,10H,1-2H3
InChIKeyPZMUBIKRTRXPEE-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.32
Rot. Bonds2

About 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 89056981) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID89056981
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCl)cc1
InChIInChI=1S/C8H11ClN2/c1-11(2)8-5-3-7(10-9)4-6-8/h3-6,10H,1-2H3
InChIKeyPZMUBIKRTRXPEE-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N,N',N"-tris[4-(dimethylamino)phenyl]methanetriamine
CID 140531213
N-[4-(dimethylamino)phenyl]sulfamoyl chloride
CID 84760640
N-chloro-N-[4-(chloroamino)phenyl]acetamide
CID 174326232
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 144618695
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
CID 69241188
CID 69241188
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
CID 10920697
CID 10920697
[4-(dimethylamino)anilino]thiourea
CID 87110505

Frequently Asked Questions

What is the IUPAC name of 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine (CID 89056981) is 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCl)cc1.
What is the InChIKey of 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is PZMUBIKRTRXPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(2)8-5-3-7(10-9)4-6-8/h3-6,10H,1-2H3.
What are the key properties of 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 170.64 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 89056981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).