N-(3,3-dichloro-2-methylprop-2-enyl)aniline

C10H11Cl2N — CID 130006231

IUPACN-(3,3-dichloro-2-methylprop-2-enyl)aniline
SMILESCC(CNc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C10H11Cl2N/c1-8(10(11)12)7-13-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyJCXFVNUOOQPKNF-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.81
Rot. Bonds3

About N-(3,3-dichloro-2-methylprop-2-enyl)aniline

N-(3,3-dichloro-2-methylprop-2-enyl)aniline (PubChem CID 130006231) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is N-(3,3-dichloro-2-methylprop-2-enyl)aniline.

Molecular Properties

Compound NameN-(3,3-dichloro-2-methylprop-2-enyl)aniline
PubChem CID130006231
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC NameN-(3,3-dichloro-2-methylprop-2-enyl)aniline
SMILESCC(CNc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C10H11Cl2N/c1-8(10(11)12)7-13-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyJCXFVNUOOQPKNF-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3-dichloro-2-methylprop-2-enyl)aniline 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

N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-anilinoacetic acid;hydrazine
CID 67393863
bis(2-anilinoacetate);cadmium(2+)
CID 88771971
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
N-(2-bromoprop-2-enyl)aniline;hydrochloride
CID 45127902
2-anilino-N-(3-methylbut-2-enyl)acetamide
CID 106186880
2-anilino-1-(2-chlorophenyl)ethanone
CID 116555252
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichloro-2-methylprop-2-enyl)aniline?
The IUPAC name of N-(3,3-dichloro-2-methylprop-2-enyl)aniline (CID 130006231) is N-(3,3-dichloro-2-methylprop-2-enyl)aniline.
What is the SMILES notation for N-(3,3-dichloro-2-methylprop-2-enyl)aniline?
The canonical SMILES for N-(3,3-dichloro-2-methylprop-2-enyl)aniline is CC(CNc1ccccc1)=C(Cl)Cl.
What is the InChIKey of N-(3,3-dichloro-2-methylprop-2-enyl)aniline?
The InChIKey is JCXFVNUOOQPKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-8(10(11)12)7-13-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3.
What are the key properties of N-(3,3-dichloro-2-methylprop-2-enyl)aniline?
N-(3,3-dichloro-2-methylprop-2-enyl)aniline has a molecular weight of 216.11 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloro-2-methylprop-2-enyl)aniline is sourced from PubChem (CID 130006231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).