4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline

C15H15BrClNO — CID 107618729

IUPAC4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10(12-5-3-4-6-15(12)19-2)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
InChIKeyHKTDTNVPZGINTQ-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.28
Rot. Bonds4

About 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline

4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline (PubChem CID 107618729) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
PubChem CID107618729
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10(12-5-3-4-6-15(12)19-2)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
InChIKeyHKTDTNVPZGINTQ-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
2-[1-(4-bromo-3-chloroanilino)ethyl]-5-methoxyphenol
CID 107619385
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
CID 82858118
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
CID 43106859
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2-[1-(4-bromo-3-chloroanilino)ethyl]-4-fluorophenol
CID 107619041
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline (CID 107618729) is 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline is COc1ccccc1C(C)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The InChIKey is HKTDTNVPZGINTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(12-5-3-4-6-15(12)19-2)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline has a molecular weight of 340.65 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 107618729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).