(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine

C14H11Cl2F2NO — CID 43167241

IUPAC(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2F2NO/c15-11-6-3-9(7-12(11)16)13(19)8-1-4-10(5-2-8)20-14(17)18/h1-7,13-14H,19H2
InChIKeyIAGCJFOFKPOZSL-UHFFFAOYSA-N
MW318.15 g/mol
LogP4.64
Rot. Bonds4

About (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine

(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine (PubChem CID 43167241) has the molecular formula C14H11Cl2F2NO and a molecular weight of 318.15 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
PubChem CID43167241
Molecular FormulaC14H11Cl2F2NO
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2F2NO/c15-11-6-3-9(7-12(11)16)13(19)8-1-4-10(5-2-8)20-14(17)18/h1-7,13-14H,19H2
InChIKeyIAGCJFOFKPOZSL-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105396878
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105041901
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine
CID 118813907
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
[4-(difluoromethoxy)phenyl]-(1,2,4-oxadiazol-3-yl)methanamine
CID 43559147
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine (CID 43167241) is (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
The InChIKey is IAGCJFOFKPOZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO/c15-11-6-3-9(7-12(11)16)13(19)8-1-4-10(5-2-8)20-14(17)18/h1-7,13-14H,19H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine?
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine has a molecular weight of 318.15 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 43167241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).