1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine

C15H23NO2 — CID 66039492

IUPAC1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
SMILESC=C(CC)COc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C15H23NO2/c1-5-11(2)10-18-14-7-6-13(8-12(3)16)9-15(14)17-4/h6-7,9,12H,2,5,8,10,16H2,1,3-4H3
InChIKeyLWMXJEAWRNRLGE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds7

About 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine

1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine (PubChem CID 66039492) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
PubChem CID66039492
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
SMILESC=C(CC)COc1ccc(CC(C)N)cc1OC
InChIInChI=1S/C15H23NO2/c1-5-11(2)10-18-14-7-6-13(8-12(3)16)9-15(14)17-4/h6-7,9,12H,2,5,8,10,16H2,1,3-4H3
InChIKeyLWMXJEAWRNRLGE-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
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-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66037111
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66038772
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
[1-(3,4-dimethoxyphenyl)-4-methylidenehexan-2-yl]hydrazine
CID 105203952
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine (CID 66039492) is 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine is C=C(CC)COc1ccc(CC(C)N)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine?
The InChIKey is LWMXJEAWRNRLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11(2)10-18-14-7-6-13(8-12(3)16)9-15(14)17-4/h6-7,9,12H,2,5,8,10,16H2,1,3-4H3.
What are the key properties of 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine?
1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 66039492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).