4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

C14H14ClFN2 — CID 66077026

IUPAC4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccccc1CNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C14H14ClFN2/c1-9-4-2-3-5-10(9)8-18-14-7-12(16)11(15)6-13(14)17/h2-7,18H,8,17H2,1H3
InChIKeyUZHMFXQESODUGN-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.98
Rot. Bonds3

About 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 66077026) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID66077026
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccccc1CNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C14H14ClFN2/c1-9-4-2-3-5-10(9)8-18-14-7-12(16)11(15)6-13(14)17/h2-7,18H,8,17H2,1H3
InChIKeyUZHMFXQESODUGN-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 66079324
4-chloro-5-fluoro-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 66078811
1-N-benzyl-4-chloro-5-fluorobenzene-1,2-diamine
CID 66079323
4-chloro-5-fluoro-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 66077847
4-chloro-5-fluoro-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 66077217
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
5-chloro-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 62492832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (CID 66077026) is 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is Cc1ccccc1CNc1cc(F)c(Cl)cc1N.
What is the InChIKey of 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is UZHMFXQESODUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-4-2-3-5-10(9)8-18-14-7-12(16)11(15)6-13(14)17/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66077026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).