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

C15H15BrClNO — CID 61079999

IUPAC1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO/c1-19-15-5-3-2-4-10(15)8-14(18)12-7-6-11(16)9-13(12)17/h2-7,9,14H,8,18H2,1H3
InChIKeyAKJMNEFHOALHNT-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.35
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 61079999) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
PubChem CID61079999
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO/c1-19-15-5-3-2-4-10(15)8-14(18)12-7-6-11(16)9-13(12)17/h2-7,9,14H,8,18H2,1H3
InChIKeyAKJMNEFHOALHNT-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(5-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 61066107

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine (CID 61079999) is 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is AKJMNEFHOALHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-15-5-3-2-4-10(15)8-14(18)12-7-6-11(16)9-13(12)17/h2-7,9,14H,8,18H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 61079999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).