1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine

C13H17Cl2NO2 — CID 79173484

IUPAC1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCC(Cl)=CCl
InChIInChI=1S/C13H17Cl2NO2/c1-9(16)6-10-4-3-5-12(17-2)13(10)18-8-11(15)7-14/h3-5,7,9H,6,8,16H2,1-2H3
InChIKeyNRDUTADJIIPRQR-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.28
Rot. Bonds6

About 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine

1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine (PubChem CID 79173484) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
PubChem CID79173484
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCC(Cl)=CCl
InChIInChI=1S/C13H17Cl2NO2/c1-9(16)6-10-4-3-5-12(17-2)13(10)18-8-11(15)7-14/h3-5,7,9H,6,8,16H2,1-2H3
InChIKeyNRDUTADJIIPRQR-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
CID 79173898
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60907625
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[2-(2,3-dichloroprop-2-enoxy)phenyl]butan-2-amine
CID 79174196
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine (CID 79173484) is 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCC(Cl)=CCl.
What is the InChIKey of 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine?
The InChIKey is NRDUTADJIIPRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-9(16)6-10-4-3-5-12(17-2)13(10)18-8-11(15)7-14/h3-5,7,9H,6,8,16H2,1-2H3.
What are the key properties of 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine?
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine has a molecular weight of 290.19 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 79173484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).