2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline

C16H18BrN — CID 107082514

IUPAC2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2ccccc2CBr)cc1
InChIInChI=1S/C16H18BrN/c1-3-13-8-10-15(11-9-13)18(2)16-7-5-4-6-14(16)12-17/h4-11H,3,12H2,1-2H3
InChIKeyAPVDFDOKVVULBC-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.91
Rot. Bonds4

About 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline

2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline (PubChem CID 107082514) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline
PubChem CID107082514
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2ccccc2CBr)cc1
InChIInChI=1S/C16H18BrN/c1-3-13-8-10-15(11-9-13)18(2)16-7-5-4-6-14(16)12-17/h4-11H,3,12H2,1-2H3
InChIKeyAPVDFDOKVVULBC-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
1-(bromomethyl)-4-ethylbenzene;ethylbenzene
CID 157176611
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
1,4-diethylbenzene;ethane
CID 91207141
2-(2-aminoethyl)-N-methyl-N-phenylaniline
CID 63784561

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline?
The IUPAC name of 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline (CID 107082514) is 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline.
What is the SMILES notation for 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline?
The canonical SMILES for 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline is CCc1ccc(N(C)c2ccccc2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline?
The InChIKey is APVDFDOKVVULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-13-8-10-15(11-9-13)18(2)16-7-5-4-6-14(16)12-17/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline?
2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline has a molecular weight of 304.23 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline is sourced from PubChem (CID 107082514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).