1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine

C15H14BrClFNO — CID 107885311

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrClFNO/c1-20-15-5-3-10(8-11(15)16)14(19)7-9-2-4-12(17)13(18)6-9/h2-6,8,14H,7,19H2,1H3
InChIKeyCFRMCSPIJXEBTH-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine

1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107885311) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107885311
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)c(F)c2)cc1Br
InChIInChI=1S/C15H14BrClFNO/c1-20-15-5-3-10(8-11(15)16)14(19)7-9-2-4-12(17)13(18)6-9/h2-6,8,14H,7,19H2,1H3
InChIKeyCFRMCSPIJXEBTH-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
[1-(3-bromo-4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105260966
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine (CID 107885311) is 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Cl)c(F)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is CFRMCSPIJXEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-20-15-5-3-10(8-11(15)16)14(19)7-9-2-4-12(17)13(18)6-9/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107885311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).