(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C14H11BrF3NO — CID 107538884

IUPAC(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(F)c(F)c2Br)c1F
InChIInChI=1S/C14H11BrF3NO/c1-20-10-4-2-3-8(12(10)17)14(19)7-5-6-9(16)13(18)11(7)15/h2-6,14H,19H2,1H3
InChIKeyZNPCNRYBFHZDBH-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.92
Rot. Bonds3

About (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 107538884) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID107538884
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(F)c(F)c2Br)c1F
InChIInChI=1S/C14H11BrF3NO/c1-20-10-4-2-3-8(12(10)17)14(19)7-5-6-9(16)13(18)11(7)15/h2-6,14H,19H2,1H3
InChIKeyZNPCNRYBFHZDBH-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 107538784
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 107538884) is (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(F)c(F)c2Br)c1F.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is ZNPCNRYBFHZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c1-20-10-4-2-3-8(12(10)17)14(19)7-5-6-9(16)13(18)11(7)15/h2-6,14H,19H2,1H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 346.15 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 107538884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).