N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline

C11H13Cl2NO — CID 79167544

IUPACN-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCC(Cl)=CCl)c1
InChIInChI=1S/C11H13Cl2NO/c1-15-8-9-3-2-4-11(5-9)14-7-10(13)6-12/h2-6,14H,7-8H2,1H3
InChIKeyXGUWPVYKGVUTJU-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.56
Rot. Bonds5

About N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline

N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline (PubChem CID 79167544) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline
PubChem CID79167544
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCC(Cl)=CCl)c1
InChIInChI=1S/C11H13Cl2NO/c1-15-8-9-3-2-4-11(5-9)14-7-10(13)6-12/h2-6,14H,7-8H2,1H3
InChIKeyXGUWPVYKGVUTJU-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
N-(2,3-dichloroprop-2-enyl)aniline
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3-(methoxymethyl)-N-methylaniline
CID 23080905
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
CID 70009939
N-(2-tert-butylsulfanylethyl)-3-(methoxymethyl)aniline
CID 114271274
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline (CID 79167544) is N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline is COCc1cccc(NCC(Cl)=CCl)c1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline?
The InChIKey is XGUWPVYKGVUTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-15-8-9-3-2-4-11(5-9)14-7-10(13)6-12/h2-6,14H,7-8H2,1H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline?
N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline has a molecular weight of 246.14 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 79167544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).