(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine

C14H11BrCl2FNO — CID 103394434

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11BrCl2FNO/c1-20-13-6-12(18)11(15)5-10(13)14(19)7-2-8(16)4-9(17)3-7/h2-6,14H,19H2,1H3
InChIKeyOVXIWIYUKSMMDO-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.95
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine

(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine (PubChem CID 103394434) has the molecular formula C14H11BrCl2FNO and a molecular weight of 379.06 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
PubChem CID103394434
Molecular FormulaC14H11BrCl2FNO
Molecular Weight379.06 g/mol
Exact Mass376.94
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
SMILESCOc1cc(F)c(Br)cc1C(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11BrCl2FNO/c1-20-13-6-12(18)11(15)5-10(13)14(19)7-2-8(16)4-9(17)3-7/h2-6,14H,19H2,1H3
InChIKeyOVXIWIYUKSMMDO-UHFFFAOYSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.06
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107951008
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001449
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82772992
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine (CID 103394434) is (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine is COc1cc(F)c(Br)cc1C(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
The InChIKey is OVXIWIYUKSMMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO/c1-20-13-6-12(18)11(15)5-10(13)14(19)7-2-8(16)4-9(17)3-7/h2-6,14H,19H2,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine has a molecular weight of 379.06 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 103394434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).