(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine

C15H14BrClFNO2 — CID 43330541

IUPAC(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C15H14BrClFNO2/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7,15H,19H2,1-2H3
InChIKeyCVHULIGCAGGCNW-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.31
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine

(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine (PubChem CID 43330541) has the molecular formula C15H14BrClFNO2 and a molecular weight of 374.64 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
PubChem CID43330541
Molecular FormulaC15H14BrClFNO2
Molecular Weight374.64 g/mol
Exact Mass372.99
IUPAC Name(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C15H14BrClFNO2/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7,15H,19H2,1-2H3
InChIKeyCVHULIGCAGGCNW-UHFFFAOYSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine (CID 43330541) is (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine is COc1cc(Cl)c(C(N)c2ccc(Br)cc2F)cc1OC.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is CVHULIGCAGGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO2/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 374.64 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 43330541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).