2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine

C15H15BrClNO — CID 55135517

IUPAC2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-19-15-7-6-12(17)9-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9,14H,8,18H2,1H3
InChIKeyMUKQJGAOJYYNEG-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine

2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine (PubChem CID 55135517) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
PubChem CID55135517
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-19-15-7-6-12(17)9-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9,14H,8,18H2,1H3
InChIKeyMUKQJGAOJYYNEG-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-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444
1-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
CID 63520054
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine (CID 55135517) is 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine is COc1ccc(Cl)cc1C(N)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
The InChIKey is MUKQJGAOJYYNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-15-7-6-12(17)9-13(15)14(18)8-10-2-4-11(16)5-3-10/h2-7,9,14H,8,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine?
2-(4-bromophenyl)-1-(5-chloro-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 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 55135517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).