3-bromo-2-methyl-N-(2-phenylethyl)aniline

C15H16BrN — CID 107629722

IUPAC3-bromo-2-methyl-N-(2-phenylethyl)aniline
SMILESCc1c(Br)cccc1NCCc1ccccc1
InChIInChI=1S/C15H16BrN/c1-12-14(16)8-5-9-15(12)17-11-10-13-6-3-2-4-7-13/h2-9,17H,10-11H2,1H3
InChIKeyUZMMSJDAJFXCDP-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.41
Rot. Bonds4

About 3-bromo-2-methyl-N-(2-phenylethyl)aniline

3-bromo-2-methyl-N-(2-phenylethyl)aniline (PubChem CID 107629722) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-phenylethyl)aniline
PubChem CID107629722
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name3-bromo-2-methyl-N-(2-phenylethyl)aniline
SMILESCc1c(Br)cccc1NCCc1ccccc1
InChIInChI=1S/C15H16BrN/c1-12-14(16)8-5-9-15(12)17-11-10-13-6-3-2-4-7-13/h2-9,17H,10-11H2,1H3
InChIKeyUZMMSJDAJFXCDP-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204
N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807006
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
4-bromo-2,3-dichloro-N-(2-phenylethyl)aniline
CID 114001623
3-bromo-N-(3-ethylsulfanylpropyl)-2-methylaniline
CID 107630467
3-bromo-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876494
2-bromo-5-iodo-N-(2-phenylethyl)aniline
CID 114258923
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
CID 107630212
2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
CID 22457026

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 3-bromo-2-methyl-N-(2-phenylethyl)aniline (CID 107629722) is 3-bromo-2-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-bromo-2-methyl-N-(2-phenylethyl)aniline is Cc1c(Br)cccc1NCCc1ccccc1.
What is the InChIKey of 3-bromo-2-methyl-N-(2-phenylethyl)aniline?
The InChIKey is UZMMSJDAJFXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12-14(16)8-5-9-15(12)17-11-10-13-6-3-2-4-7-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 3-bromo-2-methyl-N-(2-phenylethyl)aniline?
3-bromo-2-methyl-N-(2-phenylethyl)aniline has a molecular weight of 290.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 107629722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).