3-bromo-N-(2-methoxy-1-phenylethyl)aniline

C15H16BrNO — CID 103463420

IUPAC3-bromo-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrNO/c1-18-11-15(12-6-3-2-4-7-12)17-14-9-5-8-13(16)10-14/h2-10,15,17H,11H2,1H3
InChIKeyCOJOZENKCYIVKF-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.25
Rot. Bonds5

About 3-bromo-N-(2-methoxy-1-phenylethyl)aniline

3-bromo-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103463420) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103463420
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-bromo-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrNO/c1-18-11-15(12-6-3-2-4-7-12)17-14-9-5-8-13(16)10-14/h2-10,15,17H,11H2,1H3
InChIKeyCOJOZENKCYIVKF-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463564
4-bromo-N-(2-methoxy-1-phenylethyl)-3-nitroaniline
CID 103464391
3-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410504
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
3-chloro-4-ethoxy-N-(2-methoxy-1-phenylethyl)aniline
CID 103464030
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 3-bromo-N-(2-methoxy-1-phenylethyl)aniline (CID 103463420) is 3-bromo-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 3-bromo-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 3-bromo-N-(2-methoxy-1-phenylethyl)aniline is COCC(Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is COJOZENKCYIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-18-11-15(12-6-3-2-4-7-12)17-14-9-5-8-13(16)10-14/h2-10,15,17H,11H2,1H3.
What are the key properties of 3-bromo-N-(2-methoxy-1-phenylethyl)aniline?
3-bromo-N-(2-methoxy-1-phenylethyl)aniline has a molecular weight of 306.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103463420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).