4-ethylaniline;hydrobromide

C8H12BrN — CID 86059477

IUPAC4-ethylaniline;hydrobromide
SMILESBr.CCc1ccc(N)cc1
InChIInChI=1S/C8H11N.BrH/c1-2-7-3-5-8(9)6-4-7;/h3-6H,2,9H2,1H3;1H
InChIKeyLWYXYCMLUFOUJJ-UHFFFAOYSA-N
MW202.10 g/mol
LogP2.41
Rot. Bonds1

About 4-ethylaniline;hydrobromide

4-ethylaniline;hydrobromide (PubChem CID 86059477) has the molecular formula C8H12BrN and a molecular weight of 202.10 g/mol. Its IUPAC name is 4-ethylaniline;hydrobromide.

Molecular Properties

Compound Name4-ethylaniline;hydrobromide
PubChem CID86059477
Molecular FormulaC8H12BrN
Molecular Weight202.10 g/mol
Exact Mass201.02
IUPAC Name4-ethylaniline;hydrobromide
SMILESBr.CCc1ccc(N)cc1
InChIInChI=1S/C8H11N.BrH/c1-2-7-3-5-8(9)6-4-7;/h3-6H,2,9H2,1H3;1H
InChIKeyLWYXYCMLUFOUJJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-ethylaniline;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
4-[(4-aminophenyl)methyl]aniline;bis(4-ethylphenol)
CID 157077218
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
cyclobutanone;4-ethylaniline
CID 142964401
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
1,4-diethylbenzene;ethane;methane
CID 166131756
benzene-1,4-diamine;butane
CID 67434753
4-[(1E)-buta-1,3-dienyl]aniline;4-ethylaniline
CID 144942639

Frequently Asked Questions

What is the IUPAC name of 4-ethylaniline;hydrobromide?
The IUPAC name of 4-ethylaniline;hydrobromide (CID 86059477) is 4-ethylaniline;hydrobromide.
What is the SMILES notation for 4-ethylaniline;hydrobromide?
The canonical SMILES for 4-ethylaniline;hydrobromide is Br.CCc1ccc(N)cc1.
What is the InChIKey of 4-ethylaniline;hydrobromide?
The InChIKey is LWYXYCMLUFOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.BrH/c1-2-7-3-5-8(9)6-4-7;/h3-6H,2,9H2,1H3;1H.
What are the key properties of 4-ethylaniline;hydrobromide?
4-ethylaniline;hydrobromide has a molecular weight of 202.10 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylaniline;hydrobromide is sourced from PubChem (CID 86059477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).