(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine

C14H10BrF4N — CID 107538714

IUPAC(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(F)c2Br)c(F)c1F
InChIInChI=1S/C14H10BrF4N/c1-6-2-3-8(12(18)11(6)17)14(20)7-4-5-9(16)13(19)10(7)15/h2-5,14H,20H2,1H3
InChIKeyUKYIGECOFDGZSD-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.36
Rot. Bonds2

About (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine

(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine (PubChem CID 107538714) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
PubChem CID107538714
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(F)c2Br)c(F)c1F
InChIInChI=1S/C14H10BrF4N/c1-6-2-3-8(12(18)11(6)17)14(20)7-4-5-9(16)13(19)10(7)15/h2-5,14H,20H2,1H3
InChIKeyUKYIGECOFDGZSD-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(2-bromo-3,4-difluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107538891
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 103852505

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine (CID 107538714) is (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(F)c(F)c2Br)c(F)c1F.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The InChIKey is UKYIGECOFDGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c1-6-2-3-8(12(18)11(6)17)14(20)7-4-5-9(16)13(19)10(7)15/h2-5,14H,20H2,1H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine has a molecular weight of 348.14 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107538714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).