3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine

C19H31NO — CID 65156384

IUPAC3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(CCC)cc1
InChIInChI=1S/C19H31NO/c1-3-6-16-8-10-17(11-9-16)19(20-14-4-2)13-12-18-7-5-15-21-18/h8-11,18-20H,3-7,12-15H2,1-2H3
InChIKeyHJYPBKLWFLPUPZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.64
Rot. Bonds9

About 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine

3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine (PubChem CID 65156384) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
PubChem CID65156384
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(CCC)cc1
InChIInChI=1S/C19H31NO/c1-3-6-16-8-10-17(11-9-16)19(20-14-4-2)13-12-18-7-5-15-21-18/h8-11,18-20H,3-7,12-15H2,1-2H3
InChIKeyHJYPBKLWFLPUPZ-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine (CID 65156384) is 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine is CCCNC(CCC1CCCO1)c1ccc(CCC)cc1.
What is the InChIKey of 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine?
The InChIKey is HJYPBKLWFLPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-6-16-8-10-17(11-9-16)19(20-14-4-2)13-12-18-7-5-15-21-18/h8-11,18-20H,3-7,12-15H2,1-2H3.
What are the key properties of 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine?
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 65156384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).