(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

C14H12BrClFNO — CID 105024957

IUPAC(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C14H12BrClFNO/c1-19-12-4-2-3-10(13(12)17)14(18)9-6-5-8(15)7-11(9)16/h2-7,14H,18H2,1H3
InChIKeyNARRQLPTQALWAE-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.30
Rot. Bonds3

About (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine

(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105024957) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105024957
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C14H12BrClFNO/c1-19-12-4-2-3-10(13(12)17)14(18)9-6-5-8(15)7-11(9)16/h2-7,14H,18H2,1H3
InChIKeyNARRQLPTQALWAE-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

(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 105024957) is (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(Br)cc2Cl)c1F.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is NARRQLPTQALWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-12-4-2-3-10(13(12)17)14(18)9-6-5-8(15)7-11(9)16/h2-7,14H,18H2,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)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 (4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105024957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).