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

C13H10Cl2FN — CID 54912158

IUPAC[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-3-1-2-9(13(11)15)10-6-8(7-17)4-5-12(10)16/h1-6H,7,17H2
InChIKeyWFFDRWRPNQIOMB-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.26
Rot. Bonds2

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

[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine (PubChem CID 54912158) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
PubChem CID54912158
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-11-3-1-2-9(13(11)15)10-6-8(7-17)4-5-12(10)16/h1-6H,7,17H2
InChIKeyWFFDRWRPNQIOMB-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

1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[3-(2,3-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631435
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
CID 103144000
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine (CID 54912158) is [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine?
The InChIKey is WFFDRWRPNQIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-11-3-1-2-9(13(11)15)10-6-8(7-17)4-5-12(10)16/h1-6H,7,17H2.
What are the key properties of [3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine?
[3-(2,3-dichlorophenyl)-4-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-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 54912158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).