2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline

C15H15BrClNO — CID 103464437

IUPAC2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C15H15BrClNO/c1-19-10-15(11-5-3-2-4-6-11)18-14-9-12(17)7-8-13(14)16/h2-9,15,18H,10H2,1H3
InChIKeyYSZYVSSOYMJZPU-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.90
Rot. Bonds5

About 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline

2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103464437) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103464437
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C15H15BrClNO/c1-19-10-15(11-5-3-2-4-6-11)18-14-9-12(17)7-8-13(14)16/h2-9,15,18H,10H2,1H3
InChIKeyYSZYVSSOYMJZPU-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,5-difluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 107609296
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463564
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103584618
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
4-bromo-N-(2-methoxy-1-phenylethyl)-3-nitroaniline
CID 103464391
2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline
CID 103463796
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline (CID 103464437) is 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline is COCC(Nc1cc(Cl)ccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is YSZYVSSOYMJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-10-15(11-5-3-2-4-6-11)18-14-9-12(17)7-8-13(14)16/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline?
2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline has a molecular weight of 340.65 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103464437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).