N-bromo-4-ethylaniline

C8H10BrN — CID 118307209

IUPACN-bromo-4-ethylaniline
SMILESCCc1ccc(NBr)cc1
InChIInChI=1S/C8H10BrN/c1-2-7-3-5-8(10-9)6-4-7/h3-6,10H,2H2,1H3
InChIKeyFNZVPRHIURVKTR-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.97
Rot. Bonds2

About N-bromo-4-ethylaniline

N-bromo-4-ethylaniline (PubChem CID 118307209) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is N-bromo-4-ethylaniline.

Molecular Properties

Compound NameN-bromo-4-ethylaniline
PubChem CID118307209
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC NameN-bromo-4-ethylaniline
SMILESCCc1ccc(NBr)cc1
InChIInChI=1S/C8H10BrN/c1-2-7-3-5-8(10-9)6-4-7/h3-6,10H,2H2,1H3
InChIKeyFNZVPRHIURVKTR-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-diethylaniline
CID 6429431
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
N-tert-butyl-4-ethylaniline
CID 58745565
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
benzene;4-ethyl-N-phosphanylaniline
CID 175020681
1,4-diethylbenzene;ethane;methane
CID 166131756
1-bromo-4-ethylbenzene
CID 15313
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
1,1-diethyl-2-(4-ethylphenyl)hydrazine
CID 90920104

Frequently Asked Questions

What is the IUPAC name of N-bromo-4-ethylaniline?
The IUPAC name of N-bromo-4-ethylaniline (CID 118307209) is N-bromo-4-ethylaniline.
What is the SMILES notation for N-bromo-4-ethylaniline?
The canonical SMILES for N-bromo-4-ethylaniline is CCc1ccc(NBr)cc1.
What is the InChIKey of N-bromo-4-ethylaniline?
The InChIKey is FNZVPRHIURVKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-2-7-3-5-8(10-9)6-4-7/h3-6,10H,2H2,1H3.
What are the key properties of N-bromo-4-ethylaniline?
N-bromo-4-ethylaniline has a molecular weight of 200.08 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-4-ethylaniline is sourced from PubChem (CID 118307209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).