2-chloro-4-fluoroaniline;3-chloro-4-methylaniline

C13H13Cl2FN2 — CID 70284681

IUPAC2-chloro-4-fluoroaniline;3-chloro-4-methylaniline
SMILESCc1ccc(N)cc1Cl.Nc1ccc(F)cc1Cl
InChIInChI=1S/C7H8ClN.C6H5ClFN/c1-5-2-3-6(9)4-7(5)8;7-5-3-4(8)1-2-6(5)9/h2-4H,9H2,1H3;1-3H,9H2
InChIKeyTZKRVFAKZNSCTC-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.29
Rot. Bonds

About 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline

2-chloro-4-fluoroaniline;3-chloro-4-methylaniline (PubChem CID 70284681) has the molecular formula C13H13Cl2FN2 and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline.

Molecular Properties

Compound Name2-chloro-4-fluoroaniline;3-chloro-4-methylaniline
PubChem CID70284681
Molecular FormulaC13H13Cl2FN2
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name2-chloro-4-fluoroaniline;3-chloro-4-methylaniline
SMILESCc1ccc(N)cc1Cl.Nc1ccc(F)cc1Cl
InChIInChI=1S/C7H8ClN.C6H5ClFN/c1-5-2-3-6(9)4-7(5)8;7-5-3-4(8)1-2-6(5)9/h2-4H,9H2,1H3;1-3H,9H2
InChIKeyTZKRVFAKZNSCTC-UHFFFAOYSA-N
XLogP4.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.29
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

3-chloro-4-fluoroaniline;2,4-difluoroaniline
CID 161411905
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-methylaniline
CID 79141845
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
3-[(2-chloro-4-fluorophenyl)methylsulfinyl]-4-methylaniline
CID 81184033
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986
2-chloro-4-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346157
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664
2-chloro-4-methylaniline
CID 12007
2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779925
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline?
The IUPAC name of 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline (CID 70284681) is 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline.
What is the SMILES notation for 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline?
The canonical SMILES for 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline is Cc1ccc(N)cc1Cl.Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline?
The InChIKey is TZKRVFAKZNSCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C6H5ClFN/c1-5-2-3-6(9)4-7(5)8;7-5-3-4(8)1-2-6(5)9/h2-4H,9H2,1H3;1-3H,9H2.
What are the key properties of 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline?
2-chloro-4-fluoroaniline;3-chloro-4-methylaniline has a molecular weight of 287.17 g/mol, XLogP of 4.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoroaniline;3-chloro-4-methylaniline is sourced from PubChem (CID 70284681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).