(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine

C15H14BrF2NO2 — CID 107538784

IUPAC(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccc(F)c(F)c2Br)c1
InChIInChI=1S/C15H14BrF2NO2/c1-20-8-3-6-12(21-2)10(7-8)15(19)9-4-5-11(17)14(18)13(9)16/h3-7,15H,19H2,1-2H3
InChIKeyIYWFJLLIRFCNQP-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.79
Rot. Bonds4

About (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine

(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine (PubChem CID 107538784) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
PubChem CID107538784
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccc(F)c(F)c2Br)c1
InChIInChI=1S/C15H14BrF2NO2/c1-20-8-3-6-12(21-2)10(7-8)15(19)9-4-5-11(17)14(18)13(9)16/h3-7,15H,19H2,1-2H3
InChIKeyIYWFJLLIRFCNQP-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197230
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine (CID 107538784) is (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine is COc1ccc(OC)c(C(N)c2ccc(F)c(F)c2Br)c1.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
The InChIKey is IYWFJLLIRFCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-20-8-3-6-12(21-2)10(7-8)15(19)9-4-5-11(17)14(18)13(9)16/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine?
(2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine has a molecular weight of 358.18 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(2,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 107538784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).