3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline

C16H18BrN — CID 107582552

IUPAC3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
SMILESCCc1ccccc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C16H18BrN/c1-3-13-6-4-5-7-14(13)11-18-16-9-12(2)8-15(17)10-16/h4-10,18H,3,11H2,1-2H3
InChIKeyRURKITMOGRQSKY-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.93
Rot. Bonds4

About 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline

3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline (PubChem CID 107582552) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
PubChem CID107582552
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
SMILESCCc1ccccc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C16H18BrN/c1-3-13-6-4-5-7-14(13)11-18-16-9-12(2)8-15(17)10-16/h4-10,18H,3,11H2,1-2H3
InChIKeyRURKITMOGRQSKY-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetate
CID 107583241
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
2-[(3-bromo-5-methylanilino)methyl]benzoic acid
CID 107584215
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
3-bromo-N-[(2,6-difluorophenyl)methyl]-5-methylaniline
CID 107582170

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline (CID 107582552) is 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline is CCc1ccccc1CNc1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline?
The InChIKey is RURKITMOGRQSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-13-6-4-5-7-14(13)11-18-16-9-12(2)8-15(17)10-16/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline?
3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline has a molecular weight of 304.23 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107582552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).