2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine

C11H13Cl2NO — CID 79173371

IUPAC2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCC(Cl)=CCl)cc1
InChIInChI=1S/C11H13Cl2NO/c12-7-10(13)8-15-11-3-1-9(2-4-11)5-6-14/h1-4,7H,5-6,8,14H2
InChIKeyBJYHPBPYQLFDRJ-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.89
Rot. Bonds5

About 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine

2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine (PubChem CID 79173371) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
PubChem CID79173371
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCC(Cl)=CCl)cc1
InChIInChI=1S/C11H13Cl2NO/c12-7-10(13)8-15-11-3-1-9(2-4-11)5-6-14/h1-4,7H,5-6,8,14H2
InChIKeyBJYHPBPYQLFDRJ-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
CID 79168528
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79168187
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
CID 115495734
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine (CID 79173371) is 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine is NCCc1ccc(OCC(Cl)=CCl)cc1.
What is the InChIKey of 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The InChIKey is BJYHPBPYQLFDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-7-10(13)8-15-11-3-1-9(2-4-11)5-6-14/h1-4,7H,5-6,8,14H2.
What are the key properties of 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine has a molecular weight of 246.14 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 79173371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).