N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine

C8H10ClFN2 — CID 115225495

IUPACN'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
SMILESCc1cc(Cl)c(NCN)cc1F
InChIInChI=1S/C8H10ClFN2/c1-5-2-6(9)8(12-4-11)3-7(5)10/h2-3,12H,4,11H2,1H3
InChIKeyDQSAQAKWZNCEMG-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.12
Rot. Bonds2

About N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine

N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine (PubChem CID 115225495) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine.

Molecular Properties

Compound NameN'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
PubChem CID115225495
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC NameN'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
SMILESCc1cc(Cl)c(NCN)cc1F
InChIInChI=1S/C8H10ClFN2/c1-5-2-6(9)8(12-4-11)3-7(5)10/h2-3,12H,4,11H2,1H3
InChIKeyDQSAQAKWZNCEMG-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.12
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

2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131719
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
2-[(2-chloro-5-fluoro-4-methylanilino)methyl]-3-methylbutanenitrile
CID 115254319
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
3-[(2-chloro-5-fluoro-4-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247835
2-chloro-N-ethyl-4,5-difluoroaniline
CID 130725637
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485
2-chloro-4-fluoro-5-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112734641

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine?
The IUPAC name of N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine (CID 115225495) is N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine.
What is the SMILES notation for N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine?
The canonical SMILES for N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine is Cc1cc(Cl)c(NCN)cc1F.
What is the InChIKey of N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine?
The InChIKey is DQSAQAKWZNCEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-5-2-6(9)8(12-4-11)3-7(5)10/h2-3,12H,4,11H2,1H3.
What are the key properties of N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine?
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine has a molecular weight of 188.63 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine is sourced from PubChem (CID 115225495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).