[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine

C13H10Cl2FN — CID 134631440

IUPAC[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-1-2-12(13(15)6-10)9-3-8(7-17)4-11(16)5-9/h1-6H,7,17H2
InChIKeyCTASGWZDMFHKNP-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.26
Rot. Bonds2

About [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine

[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine (PubChem CID 134631440) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
PubChem CID134631440
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-1-2-12(13(15)6-10)9-3-8(7-17)4-11(16)5-9/h1-6H,7,17H2
InChIKeyCTASGWZDMFHKNP-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[3-(2-chloro-5-fluorophenyl)-5-fluorophenyl]methanamine;hydrochloride
CID 172653896
[3-(2,3-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631435
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
CID 173442446
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine
CID 71301575
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
[3-chloro-4-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 104729116
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine (CID 134631440) is [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine is NCc1cc(F)cc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine?
The InChIKey is CTASGWZDMFHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-1-2-12(13(15)6-10)9-3-8(7-17)4-11(16)5-9/h1-6H,7,17H2.
What are the key properties of [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine?
[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 134631440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).