2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine

C15H15BrClNO — CID 43561802

IUPAC2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3
InChIKeyZUGFUAXROQKMDX-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine

2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine (PubChem CID 43561802) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
PubChem CID43561802
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3
InChIKeyZUGFUAXROQKMDX-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-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-chlorobenzene
CID 63542411
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine (CID 43561802) is 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine?
The InChIKey is ZUGFUAXROQKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-12-6-7-13(14(17)9-12)15(18)8-10-2-4-11(16)5-3-10/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine?
2-(4-bromophenyl)-1-(2-chloro-4-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 2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43561802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).