4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline

C17H20BrN — CID 63449116

IUPAC4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
SMILESCCc1ccc(CNc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C17H20BrN/c1-4-14-5-7-15(8-6-14)11-19-17-12(2)9-16(18)10-13(17)3/h5-10,19H,4,11H2,1-3H3
InChIKeyRHIKJUDPQYOGJO-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.24
Rot. Bonds4

About 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline

4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline (PubChem CID 63449116) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
PubChem CID63449116
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
SMILESCCc1ccc(CNc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C17H20BrN/c1-4-14-5-7-15(8-6-14)11-19-17-12(2)9-16(18)10-13(17)3/h5-10,19H,4,11H2,1-3H3
InChIKeyRHIKJUDPQYOGJO-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 63448979
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
CID 43646117
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylaniline
CID 63448939
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
5-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 55205653
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline (CID 63449116) is 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline is CCc1ccc(CNc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline?
The InChIKey is RHIKJUDPQYOGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-4-14-5-7-15(8-6-14)11-19-17-12(2)9-16(18)10-13(17)3/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline?
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline has a molecular weight of 318.26 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 63449116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).