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

C18H29NO2 — CID 114622286

IUPAC1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)C2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-16(2)12-15(17(3,4)21-16)18(5,19)11-13-7-9-14(20-6)10-8-13/h7-10,15H,11-12,19H2,1-6H3
InChIKeyDROFXHNLJCQSFM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.55
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine (PubChem CID 114622286) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine
PubChem CID114622286
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)C2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-16(2)12-15(17(3,4)21-16)18(5,19)11-13-7-9-14(20-6)10-8-13/h7-10,15H,11-12,19H2,1-6H3
InChIKeyDROFXHNLJCQSFM-UHFFFAOYSA-N
XLogP3.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine (CID 114622286) is 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine is COc1ccc(CC(C)(N)C2CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine?
The InChIKey is DROFXHNLJCQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-16(2)12-15(17(3,4)21-16)18(5,19)11-13-7-9-14(20-6)10-8-13/h7-10,15H,11-12,19H2,1-6H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine?
1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-amine is sourced from PubChem (CID 114622286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).