1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine

C13H19NO2 — CID 60906895

IUPAC1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
SMILESC=CCOc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C13H19NO2/c1-4-7-16-12-6-5-11(8-10(2)14)9-13(12)15-3/h4-6,9-10H,1,7-8,14H2,2-3H3
InChIKeyOGCZLBLLQMDGDT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds6

About 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine

1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine (PubChem CID 60906895) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
PubChem CID60906895
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
SMILESC=CCOc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C13H19NO2/c1-4-7-16-12-6-5-11(8-10(2)14)9-13(12)15-3/h4-6,9-10H,1,7-8,14H2,2-3H3
InChIKeyOGCZLBLLQMDGDT-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039492
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
4-[4-(2-aminopropyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252752
prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate
CID 149406370
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine
CID 170891733
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine (CID 60906895) is 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine is C=CCOc1ccc(CC(C)N)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine?
The InChIKey is OGCZLBLLQMDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-7-16-12-6-5-11(8-10(2)14)9-13(12)15-3/h4-6,9-10H,1,7-8,14H2,2-3H3.
What are the key properties of 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine?
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine is sourced from PubChem (CID 60906895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).