(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine

C14H13BrFNO — CID 106645247

IUPAC(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C14H13BrFNO/c1-18-12-8-3-2-5-9(12)14(17)10-6-4-7-11(15)13(10)16/h2-8,14H,17H2,1H3
InChIKeyYTVXBJASBUFQGD-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.64
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine

(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine (PubChem CID 106645247) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
PubChem CID106645247
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C14H13BrFNO/c1-18-12-8-3-2-5-9(12)14(17)10-6-4-7-11(15)13(10)16/h2-8,14H,17H2,1H3
InChIKeyYTVXBJASBUFQGD-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine (CID 106645247) is (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine?
The InChIKey is YTVXBJASBUFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-18-12-8-3-2-5-9(12)14(17)10-6-4-7-11(15)13(10)16/h2-8,14H,17H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine?
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 106645247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).