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

C14H12BrF2N — CID 107538762

IUPAC(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H12BrF2N/c1-8-4-2-3-5-9(8)14(18)10-6-7-11(16)13(17)12(10)15/h2-7,14H,18H2,1H3
InChIKeyRGIJIHZLOGHGMO-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.08
Rot. Bonds2

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

(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine (PubChem CID 107538762) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
PubChem CID107538762
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H12BrF2N/c1-8-4-2-3-5-9(8)14(18)10-6-7-11(16)13(17)12(10)15/h2-7,14H,18H2,1H3
InChIKeyRGIJIHZLOGHGMO-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.08
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)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 107538784

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine (CID 107538762) is (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine?
The InChIKey is RGIJIHZLOGHGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-8-4-2-3-5-9(8)14(18)10-6-7-11(16)13(17)12(10)15/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine?
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine has a molecular weight of 312.16 g/mol, XLogP of 4.08, 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-methylphenyl)methanamine is sourced from PubChem (CID 107538762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).