1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine

C15H14BrClFNO — CID 103394333

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
SMILESCOc1cc(F)c(Br)cc1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFNO/c1-20-15-8-13(18)12(16)7-11(15)14(19)6-9-2-4-10(17)5-3-9/h2-5,7-8,14H,6,19H2,1H3
InChIKeyMXQHFQZDQYIYQQ-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.49
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine

1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine (PubChem CID 103394333) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
PubChem CID103394333
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
SMILESCOc1cc(F)c(Br)cc1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFNO/c1-20-15-8-13(18)12(16)7-11(15)14(19)6-9-2-4-10(17)5-3-9/h2-5,7-8,14H,6,19H2,1H3
InChIKeyMXQHFQZDQYIYQQ-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

2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine (CID 103394333) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine is COc1cc(F)c(Br)cc1C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is MXQHFQZDQYIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-20-15-8-13(18)12(16)7-11(15)14(19)6-9-2-4-10(17)5-3-9/h2-5,7-8,14H,6,19H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)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-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 103394333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).