1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine

C15H25NO2 — CID 107885471

IUPAC1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C15H25NO2/c1-5-6-12(3)18-15-8-7-14(17-4)10-13(15)9-11(2)16/h7-8,10-12H,5-6,9,16H2,1-4H3
InChIKeyBIYNLIDPHIFVNW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.15
Rot. Bonds7

About 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine

1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine (PubChem CID 107885471) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
PubChem CID107885471
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C15H25NO2/c1-5-6-12(3)18-15-8-7-14(17-4)10-13(15)9-11(2)16/h7-8,10-12H,5-6,9,16H2,1-4H3
InChIKeyBIYNLIDPHIFVNW-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-(4-pentan-2-yloxyphenyl)propan-2-amine
CID 107885477
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
2-(2,5-dimethoxyphenyl)hexan-3-amine
CID 83047231
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine (CID 107885471) is 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine is CCCC(C)Oc1ccc(OC)cc1CC(C)N.
What is the InChIKey of 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine?
The InChIKey is BIYNLIDPHIFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-12(3)18-15-8-7-14(17-4)10-13(15)9-11(2)16/h7-8,10-12H,5-6,9,16H2,1-4H3.
What are the key properties of 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine?
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 107885471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).