4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine

C14H13Cl2FN2 — CID 107466083

IUPAC4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1cccc(F)c1Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13Cl2FN2/c1-19(13-7-10(15)5-6-12(13)18)8-9-3-2-4-11(17)14(9)16/h2-7H,8,18H2,1H3
InChIKeyFUBDHTDCMVMQBZ-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.35
Rot. Bonds3

About 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 107466083) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
PubChem CID107466083
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1cccc(F)c1Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13Cl2FN2/c1-19(13-7-10(15)5-6-12(13)18)8-9-3-2-4-11(17)14(9)16/h2-7H,8,18H2,1H3
InChIKeyFUBDHTDCMVMQBZ-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.35
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-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
4-chloro-2-N-[(2-chloro-4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466084
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466302
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
2-N-[(4-bromo-2-chlorophenyl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466018
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
2-N-[(5-bromothiophen-2-yl)methyl]-4-chloro-2-N-methylbenzene-1,2-diamine
CID 107466105
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
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine (CID 107466083) is 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine is CN(Cc1cccc(F)c1Cl)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is FUBDHTDCMVMQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-19(13-7-10(15)5-6-12(13)18)8-9-3-2-4-11(17)14(9)16/h2-7H,8,18H2,1H3.
What are the key properties of 4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 299.18 g/mol, XLogP of 4.35, 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-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 107466083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).