N-(2-bromoprop-2-enyl)aniline;hydrochloride

C9H11BrClN — CID 45127902

IUPACN-(2-bromoprop-2-enyl)aniline;hydrochloride
SMILESC=C(Br)CNc1ccccc1.Cl
InChIInChI=1S/C9H10BrN.ClH/c1-8(10)7-11-9-5-3-2-4-6-9;/h2-6,11H,1,7H2;1H
InChIKeyQKCGVPHXQCINJH-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.43
Rot. Bonds3

About N-(2-bromoprop-2-enyl)aniline;hydrochloride

N-(2-bromoprop-2-enyl)aniline;hydrochloride (PubChem CID 45127902) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)aniline;hydrochloride
PubChem CID45127902
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC NameN-(2-bromoprop-2-enyl)aniline;hydrochloride
SMILESC=C(Br)CNc1ccccc1.Cl
InChIInChI=1S/C9H10BrN.ClH/c1-8(10)7-11-9-5-3-2-4-6-9;/h2-6,11H,1,7H2;1H
InChIKeyQKCGVPHXQCINJH-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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potassium;sodium;2-anilinoacetic acid;hydride
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CID 68795117
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CID 174518720
2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)aniline;hydrochloride?
The IUPAC name of N-(2-bromoprop-2-enyl)aniline;hydrochloride (CID 45127902) is N-(2-bromoprop-2-enyl)aniline;hydrochloride.
What is the SMILES notation for N-(2-bromoprop-2-enyl)aniline;hydrochloride?
The canonical SMILES for N-(2-bromoprop-2-enyl)aniline;hydrochloride is C=C(Br)CNc1ccccc1.Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)aniline;hydrochloride?
The InChIKey is QKCGVPHXQCINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c1-8(10)7-11-9-5-3-2-4-6-9;/h2-6,11H,1,7H2;1H.
What are the key properties of N-(2-bromoprop-2-enyl)aniline;hydrochloride?
N-(2-bromoprop-2-enyl)aniline;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)aniline;hydrochloride is sourced from PubChem (CID 45127902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).