2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine

C13H19Cl2N3 — CID 106890863

IUPAC2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
SMILESCN(C)C1(CNc2c(Cl)cc(N)cc2Cl)CCC1
InChIInChI=1S/C13H19Cl2N3/c1-18(2)13(4-3-5-13)8-17-12-10(14)6-9(16)7-11(12)15/h6-7,17H,3-5,8,16H2,1-2H3
InChIKeyHYWHSDZUNCYEQF-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.47
Rot. Bonds4

About 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine

2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine (PubChem CID 106890863) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
PubChem CID106890863
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
SMILESCN(C)C1(CNc2c(Cl)cc(N)cc2Cl)CCC1
InChIInChI=1S/C13H19Cl2N3/c1-18(2)13(4-3-5-13)8-17-12-10(14)6-9(16)7-11(12)15/h6-7,17H,3-5,8,16H2,1-2H3
InChIKeyHYWHSDZUNCYEQF-UHFFFAOYSA-N
XLogP3.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-Dichlorophenyl)piperazine
CID 2736067
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
3-Chloro-4-(4-methylpiperazin-1-yl)aniline
CID 820343
3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride
CID 16195098
1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-
CID 80180
1-(2,4-Dichlorophenyl)piperazine
CID 2737527
2-chloro-1-N,1-N-bis(2-chloroethyl)benzene-1,4-diamine
CID 10778263
1-(2,5-Dichlorophenyl)piperazine
CID 2758188
1,4-Benzenediamine, 2-chloro-N1,N1-diethyl-, hydrochloride (1:?)
CID 112739
Acetanilide, 4'-amino-2',6'-dichloro-2-diethylamino-
CID 49951
Acetanilide, 2',6'-dichloro-2-diethylamino-4'-dimethylamino-
CID 49952
(3,5-Dichloro-phenyl)-isopropyl-amine
CID 2758170

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine (CID 106890863) is 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine is CN(C)C1(CNc2c(Cl)cc(N)cc2Cl)CCC1.
What is the InChIKey of 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine?
The InChIKey is HYWHSDZUNCYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-18(2)13(4-3-5-13)8-17-12-10(14)6-9(16)7-11(12)15/h6-7,17H,3-5,8,16H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine has a molecular weight of 288.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine is sourced from PubChem (CID 106890863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).