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

C15H15BrClNO — CID 115369401

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccccc1Cl
InChIInChI=1S/C15H15BrClNO/c1-19-15-9-11(16)6-7-12(15)14(18)8-10-4-2-3-5-13(10)17/h2-7,9,14H,8,18H2,1H3
InChIKeyBIXKXQFEMVPWQA-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.35
Rot. Bonds4

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

1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine (PubChem CID 115369401) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
PubChem CID115369401
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccccc1Cl
InChIInChI=1S/C15H15BrClNO/c1-19-15-9-11(16)6-7-12(15)14(18)8-10-4-2-3-5-13(10)17/h2-7,9,14H,8,18H2,1H3
InChIKeyBIXKXQFEMVPWQA-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

2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207
1-(4-bromo-2-methoxyphenyl)-3-phenylpropan-1-amine
CID 115794460
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine (CID 115369401) is 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is BIXKXQFEMVPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-15-9-11(16)6-7-12(15)14(18)8-10-4-2-3-5-13(10)17/h2-7,9,14H,8,18H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)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-methoxyphenyl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 115369401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).