1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine

C13H18ClNO2 — CID 61269127

IUPAC1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCC=CCl)c1
InChIInChI=1S/C13H18ClNO2/c1-10(15)8-11-4-5-12(16-2)9-13(11)17-7-3-6-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyGIVFDNWWJJANCT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine

1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine (PubChem CID 61269127) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
PubChem CID61269127
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCC=CCl)c1
InChIInChI=1S/C13H18ClNO2/c1-10(15)8-11-4-5-12(16-2)9-13(11)17-7-3-6-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyGIVFDNWWJJANCT-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264
1-[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]propan-2-amine
CID 60907332
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine (CID 61269127) is 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine is COc1ccc(CC(C)N)c(OCC=CCl)c1.
What is the InChIKey of 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine?
The InChIKey is GIVFDNWWJJANCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(15)8-11-4-5-12(16-2)9-13(11)17-7-3-6-14/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine?
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 61269127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).