4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine

C14H13ClF2N2 — CID 107466040

IUPAC4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1c(F)cccc1F)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClF2N2/c1-19(14-7-9(15)5-6-13(14)18)8-10-11(16)3-2-4-12(10)17/h2-7H,8,18H2,1H3
InChIKeyMGHVWVHCDCNIMZ-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 107466040) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
PubChem CID107466040
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1c(F)cccc1F)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClF2N2/c1-19(14-7-9(15)5-6-13(14)18)8-10-11(16)3-2-4-12(10)17/h2-7H,8,18H2,1H3
InChIKeyMGHVWVHCDCNIMZ-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
4-chloro-2-N-[(2-chloro-4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466084
1-N-[(2,6-difluorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,3-diamine
CID 59268598
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466302
3-[(2-amino-5-chloro-N-methylanilino)methyl]benzonitrile
CID 115468933
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466018
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
4-chloro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 113315624

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine (CID 107466040) is 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine is CN(Cc1c(F)cccc1F)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is MGHVWVHCDCNIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-19(14-7-9(15)5-6-13(14)18)8-10-11(16)3-2-4-12(10)17/h2-7H,8,18H2,1H3.
What are the key properties of 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 282.72 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 107466040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).