(2-bromophenyl)-(2,3-difluorophenyl)methanamine

C13H10BrF2N — CID 63989436

IUPAC(2-bromophenyl)-(2,3-difluorophenyl)methanamine
SMILESNC(c1ccccc1Br)c1cccc(F)c1F
InChIInChI=1S/C13H10BrF2N/c14-10-6-2-1-4-8(10)13(17)9-5-3-7-11(15)12(9)16/h1-7,13H,17H2
InChIKeyFVLFEXRNSGJVGO-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.78
Rot. Bonds2

About (2-bromophenyl)-(2,3-difluorophenyl)methanamine

(2-bromophenyl)-(2,3-difluorophenyl)methanamine (PubChem CID 63989436) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is (2-bromophenyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(2,3-difluorophenyl)methanamine
PubChem CID63989436
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name(2-bromophenyl)-(2,3-difluorophenyl)methanamine
SMILESNC(c1ccccc1Br)c1cccc(F)c1F
InChIInChI=1S/C13H10BrF2N/c14-10-6-2-1-4-8(10)13(17)9-5-3-7-11(15)12(9)16/h1-7,13H,17H2
InChIKeyFVLFEXRNSGJVGO-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (2-bromophenyl)-(2,3-difluorophenyl)methanamine (CID 63989436) is (2-bromophenyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (2-bromophenyl)-(2,3-difluorophenyl)methanamine is NC(c1ccccc1Br)c1cccc(F)c1F.
What is the InChIKey of (2-bromophenyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is FVLFEXRNSGJVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-10-6-2-1-4-8(10)13(17)9-5-3-7-11(15)12(9)16/h1-7,13H,17H2.
What are the key properties of (2-bromophenyl)-(2,3-difluorophenyl)methanamine?
(2-bromophenyl)-(2,3-difluorophenyl)methanamine has a molecular weight of 298.13 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 63989436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).