(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine

C14H12BrClFNO — CID 43149035

IUPAC(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)c1ccc(F)cc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-19-13-5-2-8(15)6-11(13)14(18)10-4-3-9(17)7-12(10)16/h2-7,14H,18H2,1H3
InChIKeyXCRDCQBUMZPHJP-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.30
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine

(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 43149035) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
PubChem CID43149035
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)c1ccc(F)cc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-19-13-5-2-8(15)6-11(13)14(18)10-4-3-9(17)7-12(10)16/h2-7,14H,18H2,1H3
InChIKeyXCRDCQBUMZPHJP-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine (CID 43149035) is (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine is COc1ccc(Br)cc1C(N)c1ccc(F)cc1Cl.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is XCRDCQBUMZPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-13-5-2-8(15)6-11(13)14(18)10-4-3-9(17)7-12(10)16/h2-7,14H,18H2,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine?
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 43149035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).