N,N'-bis(2-chloro-6-methylphenyl)methanediamine

C15H16Cl2N2 — CID 22450713

IUPACN,N'-bis(2-chloro-6-methylphenyl)methanediamine
SMILESCc1cccc(Cl)c1NCNc1c(C)cccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-5-3-7-12(16)14(10)18-9-19-15-11(2)6-4-8-13(15)17/h3-8,18-19H,9H2,1-2H3
InChIKeyLQILOZPMRKASFP-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.09
Rot. Bonds4

About N,N'-bis(2-chloro-6-methylphenyl)methanediamine

N,N'-bis(2-chloro-6-methylphenyl)methanediamine (PubChem CID 22450713) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N,N'-bis(2-chloro-6-methylphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(2-chloro-6-methylphenyl)methanediamine
PubChem CID22450713
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN,N'-bis(2-chloro-6-methylphenyl)methanediamine
SMILESCc1cccc(Cl)c1NCNc1c(C)cccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-5-3-7-12(16)14(10)18-9-19-15-11(2)6-4-8-13(15)17/h3-8,18-19H,9H2,1-2H3
InChIKeyLQILOZPMRKASFP-UHFFFAOYSA-N
XLogP5.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
2-chloro-N-dodecyl-6-methylaniline
CID 66252343
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol
CID 81419672
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-chloro-6-methylphenyl)methanediamine?
The IUPAC name of N,N'-bis(2-chloro-6-methylphenyl)methanediamine (CID 22450713) is N,N'-bis(2-chloro-6-methylphenyl)methanediamine.
What is the SMILES notation for N,N'-bis(2-chloro-6-methylphenyl)methanediamine?
The canonical SMILES for N,N'-bis(2-chloro-6-methylphenyl)methanediamine is Cc1cccc(Cl)c1NCNc1c(C)cccc1Cl.
What is the InChIKey of N,N'-bis(2-chloro-6-methylphenyl)methanediamine?
The InChIKey is LQILOZPMRKASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-5-3-7-12(16)14(10)18-9-19-15-11(2)6-4-8-13(15)17/h3-8,18-19H,9H2,1-2H3.
What are the key properties of N,N'-bis(2-chloro-6-methylphenyl)methanediamine?
N,N'-bis(2-chloro-6-methylphenyl)methanediamine has a molecular weight of 295.21 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-chloro-6-methylphenyl)methanediamine is sourced from PubChem (CID 22450713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).