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

C10H14ClN — CID 86147547

IUPACN-(2-methylprop-2-enyl)aniline;hydrochloride
SMILESC=C(C)CNc1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-9(2)8-11-10-6-4-3-5-7-10;/h3-7,11H,1,8H2,2H3;1H
InChIKeyXCTXCFZPBWMCNY-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.10
Rot. Bonds3

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

N-(2-methylprop-2-enyl)aniline;hydrochloride (PubChem CID 86147547) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)aniline;hydrochloride
PubChem CID86147547
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC NameN-(2-methylprop-2-enyl)aniline;hydrochloride
SMILESC=C(C)CNc1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-9(2)8-11-10-6-4-3-5-7-10;/h3-7,11H,1,8H2,2H3;1H
InChIKeyXCTXCFZPBWMCNY-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)aniline;hydrochloride
CID 45127902
N-(3,3-dichloro-2-methylprop-2-enyl)aniline
CID 130006231
2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
CID 10059881
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283
2-anilinoacetic acid;hydrazine
CID 67393863
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
4-butyl-N-(2-methylprop-2-enyl)aniline
CID 62331325
bis(2-anilinoacetate);cadmium(2+)
CID 88771971
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-ethyl-N-(2-methylprop-2-enyl)aniline
CID 60679757
N-(2-azidoprop-2-enyl)aniline
CID 141405457
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)aniline;hydrochloride?
The IUPAC name of N-(2-methylprop-2-enyl)aniline;hydrochloride (CID 86147547) is N-(2-methylprop-2-enyl)aniline;hydrochloride.
What is the SMILES notation for N-(2-methylprop-2-enyl)aniline;hydrochloride?
The canonical SMILES for N-(2-methylprop-2-enyl)aniline;hydrochloride is C=C(C)CNc1ccccc1.Cl.
What is the InChIKey of N-(2-methylprop-2-enyl)aniline;hydrochloride?
The InChIKey is XCTXCFZPBWMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-9(2)8-11-10-6-4-3-5-7-10;/h3-7,11H,1,8H2,2H3;1H.
What are the key properties of N-(2-methylprop-2-enyl)aniline;hydrochloride?
N-(2-methylprop-2-enyl)aniline;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)aniline;hydrochloride is sourced from PubChem (CID 86147547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).