3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C19H31NO — CID 115794268

IUPAC3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCc1ccccc1)C1C(C)OC(C)C1C
InChIInChI=1S/C19H31NO/c1-5-13-20-18(12-11-17-9-7-6-8-10-17)19-14(2)15(3)21-16(19)4/h6-10,14-16,18-20H,5,11-13H2,1-4H3
InChIKeyWGJGUVQOFAZXLC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.05
Rot. Bonds7

About 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 115794268) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID115794268
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCc1ccccc1)C1C(C)OC(C)C1C
InChIInChI=1S/C19H31NO/c1-5-13-20-18(12-11-17-9-7-6-8-10-17)19-14(2)15(3)21-16(19)4/h6-10,14-16,18-20H,5,11-13H2,1-4H3
InChIKeyWGJGUVQOFAZXLC-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737
[2-phenyl-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105283188
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 103030299
N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105036896
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
[3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propyl]hydrazine
CID 105310622
6-phenyl-N-propylhexan-2-amine
CID 61485022
N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105011555
N-ethyl-2-(2-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155592
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 115794268) is 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is CCCNC(CCc1ccccc1)C1C(C)OC(C)C1C.
What is the InChIKey of 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is WGJGUVQOFAZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-13-20-18(12-11-17-9-7-6-8-10-17)19-14(2)15(3)21-16(19)4/h6-10,14-16,18-20H,5,11-13H2,1-4H3.
What are the key properties of 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115794268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).