(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine

C14H11ClF3NO — CID 105396878

IUPAC(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-12-6-3-9(16)7-11(12)13(19)8-1-4-10(5-2-8)20-14(17)18/h1-7,13-14H,19H2
InChIKeyGEENNKJIXOEEKS-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.13
Rot. Bonds4

About (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine

(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine (PubChem CID 105396878) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
PubChem CID105396878
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-12-6-3-9(16)7-11(12)13(19)8-1-4-10(5-2-8)20-14(17)18/h1-7,13-14H,19H2
InChIKeyGEENNKJIXOEEKS-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
CID 61086035
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine (CID 105396878) is (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)F)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The InChIKey is GEENNKJIXOEEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-12-6-3-9(16)7-11(12)13(19)8-1-4-10(5-2-8)20-14(17)18/h1-7,13-14H,19H2.
What are the key properties of (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine has a molecular weight of 301.70 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105396878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).