3,5-dichloro-2-(2-methylprop-2-enoxy)aniline

C10H11Cl2NO — CID 54853382

IUPAC3,5-dichloro-2-(2-methylprop-2-enoxy)aniline
SMILESC=C(C)COc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4H,1,5,13H2,2H3
InChIKeyFCMCGSDKEBZPIB-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.53
Rot. Bonds3

About 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline

3,5-dichloro-2-(2-methylprop-2-enoxy)aniline (PubChem CID 54853382) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-2-(2-methylprop-2-enoxy)aniline
PubChem CID54853382
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3,5-dichloro-2-(2-methylprop-2-enoxy)aniline
SMILESC=C(C)COc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4H,1,5,13H2,2H3
InChIKeyFCMCGSDKEBZPIB-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
3,5-dichloro-2-methoxyaniline
CID 11217747
3,5-dichloro-2-hexoxyaniline
CID 54853380
3,5-dichloro-2-(2,2-difluoroethoxy)aniline
CID 19622891
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
1,2,3,4,5-pentachloro-6-(2-methylprop-2-enoxy)benzene
CID 3305421
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
2-(2-bromoprop-2-enoxy)-5-chloro-1,3-dimethylbenzene
CID 130642496
1-O-(3-methylbut-3-enyl) 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91694676

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline?
The IUPAC name of 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline (CID 54853382) is 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline.
What is the SMILES notation for 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline?
The canonical SMILES for 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline is C=C(C)COc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline?
The InChIKey is FCMCGSDKEBZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4H,1,5,13H2,2H3.
What are the key properties of 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline?
3,5-dichloro-2-(2-methylprop-2-enoxy)aniline has a molecular weight of 232.11 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-methylprop-2-enoxy)aniline is sourced from PubChem (CID 54853382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).