2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine

C10H11Cl2NO — CID 103066836

IUPAC2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO/c1-7(5-13)6-14-9-4-2-3-8(11)10(9)12/h2-4H,1,5-6,13H2
InChIKeyUZHUZDWYEJMVBQ-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.89
Rot. Bonds4

About 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine

2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine (PubChem CID 103066836) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
PubChem CID103066836
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO/c1-7(5-13)6-14-9-4-2-3-8(11)10(9)12/h2-4H,1,5-6,13H2
InChIKeyUZHUZDWYEJMVBQ-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066835
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[(2-chlorophenoxy)methyl]prop-2-ene-1-thiol
CID 103073622
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
2-[(3-methyl-2-nitrophenoxy)methyl]prop-2-en-1-amine
CID 103066976
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine (CID 103066836) is 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine is C=C(CN)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
The InChIKey is UZHUZDWYEJMVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(5-13)6-14-9-4-2-3-8(11)10(9)12/h2-4H,1,5-6,13H2.
What are the key properties of 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine has a molecular weight of 232.11 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103066836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).