1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine

C17H27NO2 — CID 115495135

IUPAC1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-9-18-14(2)11-15-4-6-17(7-5-15)20-13-16-8-10-19-12-16/h4-7,14,16,18H,3,8-13H2,1-2H3
InChIKeyQFKPYDOGVPGBHG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds8

About 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine

1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine (PubChem CID 115495135) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
PubChem CID115495135
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-9-18-14(2)11-15-4-6-17(7-5-15)20-13-16-8-10-19-12-16/h4-7,14,16,18H,3,8-13H2,1-2H3
InChIKeyQFKPYDOGVPGBHG-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
CID 78932077
4-[2-(oxolan-3-ylmethylamino)propyl]phenol
CID 115494210
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
6-(oxolan-3-ylmethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096050

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine?
The IUPAC name of 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine (CID 115495135) is 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(OCC2CCOC2)cc1.
What is the InChIKey of 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine?
The InChIKey is QFKPYDOGVPGBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-9-18-14(2)11-15-4-6-17(7-5-15)20-13-16-8-10-19-12-16/h4-7,14,16,18H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine?
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine is sourced from PubChem (CID 115495135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).