(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine

C13H10Cl2FN — CID 105394650

IUPAC(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-9-3-1-8(2-4-9)13(17)11-7-10(16)5-6-12(11)15/h1-7,13H,17H2
InChIKeyDWFMUZBHRBNMIW-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.18
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine

(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine (PubChem CID 105394650) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
PubChem CID105394650
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10Cl2FN/c14-9-3-1-8(2-4-9)13(17)11-7-10(16)5-6-12(11)15/h1-7,13H,17H2
InChIKeyDWFMUZBHRBNMIW-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105396878
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine (CID 105394650) is (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine?
The InChIKey is DWFMUZBHRBNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-9-3-1-8(2-4-9)13(17)11-7-10(16)5-6-12(11)15/h1-7,13H,17H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine?
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 105394650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).