3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline

C10H11Cl2NO — CID 60680786

IUPAC3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline
SMILESC=C(Cl)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-7(11)6-13-8-3-4-10(14-2)9(12)5-8/h3-5,13H,1,6H2,2H3
InChIKeyXCXCYQQUIXPQHL-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.51
Rot. Bonds4

About 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline

3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline (PubChem CID 60680786) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline
PubChem CID60680786
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline
SMILESC=C(Cl)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-7(11)6-13-8-3-4-10(14-2)9(12)5-8/h3-5,13H,1,6H2,2H3
InChIKeyXCXCYQQUIXPQHL-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-(3-methylbut-3-enyl)aniline
CID 114471881
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
3-(3-chloro-4-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 80504258
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline?
The IUPAC name of 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline (CID 60680786) is 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline is C=C(Cl)CNc1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline?
The InChIKey is XCXCYQQUIXPQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(11)6-13-8-3-4-10(14-2)9(12)5-8/h3-5,13H,1,6H2,2H3.
What are the key properties of 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline?
3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline has a molecular weight of 232.11 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline is sourced from PubChem (CID 60680786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).