3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline

C18H22BrN — CID 63464250

IUPAC3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
SMILESCCc1ccc(C(CC)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H22BrN/c1-4-14-7-9-15(10-8-14)18(5-2)20-16-11-6-13(3)17(19)12-16/h6-12,18,20H,4-5H2,1-3H3
InChIKeyODFWUERJAXPIEG-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.88
Rot. Bonds5

About 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline

3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline (PubChem CID 63464250) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
PubChem CID63464250
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
SMILESCCc1ccc(C(CC)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H22BrN/c1-4-14-7-9-15(10-8-14)18(5-2)20-16-11-6-13(3)17(19)12-16/h6-12,18,20H,4-5H2,1-3H3
InChIKeyODFWUERJAXPIEG-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline
CID 63463599
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
3-bromo-N-(3,3-dimethyl-1-phenylbutyl)-4-methylaniline
CID 63464243
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline?
The IUPAC name of 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline (CID 63464250) is 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline.
What is the SMILES notation for 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline?
The canonical SMILES for 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline is CCc1ccc(C(CC)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline?
The InChIKey is ODFWUERJAXPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-14-7-9-15(10-8-14)18(5-2)20-16-11-6-13(3)17(19)12-16/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline?
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline has a molecular weight of 332.29 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline is sourced from PubChem (CID 63464250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).