1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine

C15H14BrClFNO — CID 105190420

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H14BrClFNO/c1-20-11-4-5-13(16)12(8-11)15(19)6-9-2-3-10(17)7-14(9)18/h2-5,7-8,15H,6,19H2,1H3
InChIKeyZRNDRAGEYCRJES-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.49
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine

1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine (PubChem CID 105190420) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
PubChem CID105190420
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H14BrClFNO/c1-20-11-4-5-13(16)12(8-11)15(19)6-9-2-3-10(17)7-14(9)18/h2-5,7-8,15H,6,19H2,1H3
InChIKeyZRNDRAGEYCRJES-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-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342752
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
CID 115862152
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine (CID 105190420) is 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine is COc1ccc(Br)c(C(N)Cc2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
The InChIKey is ZRNDRAGEYCRJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-20-11-4-5-13(16)12(8-11)15(19)6-9-2-3-10(17)7-14(9)18/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-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-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 105190420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).