3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C17H27NO2 — CID 115864775

IUPAC3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCOc1ccc(CCC(N)C2C(C)OC(C)C2C)cc1
InChIInChI=1S/C17H27NO2/c1-11-12(2)20-13(3)17(11)16(18)10-7-14-5-8-15(19-4)9-6-14/h5-6,8-9,11-13,16-17H,7,10,18H2,1-4H3
InChIKeyFKNRUJOMBBPINB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.01
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 115864775) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID115864775
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCOc1ccc(CCC(N)C2C(C)OC(C)C2C)cc1
InChIInChI=1S/C17H27NO2/c1-11-12(2)20-13(3)17(11)16(18)10-7-14-5-8-15(19-4)9-6-14/h5-6,8-9,11-13,16-17H,7,10,18H2,1-4H3
InChIKeyFKNRUJOMBBPINB-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 115864775) is 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is COc1ccc(CCC(N)C2C(C)OC(C)C2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is FKNRUJOMBBPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-12(2)20-13(3)17(11)16(18)10-7-14-5-8-15(19-4)9-6-14/h5-6,8-9,11-13,16-17H,7,10,18H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115864775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).