1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C17H26FNO2 — CID 65156287

IUPAC1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(OC)cc1F
InChIInChI=1S/C17H26FNO2/c1-3-10-19-17(9-7-13-5-4-11-21-13)15-8-6-14(20-2)12-16(15)18/h6,8,12-13,17,19H,3-5,7,9-11H2,1-2H3
InChIKeyNPFGLXXAXWPUHT-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.83
Rot. Bonds8

About 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 65156287) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID65156287
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccc(OC)cc1F
InChIInChI=1S/C17H26FNO2/c1-3-10-19-17(9-7-13-5-4-11-21-13)15-8-6-14(20-2)12-16(15)18/h6,8,12-13,17,19H,3-5,7,9-11H2,1-2H3
InChIKeyNPFGLXXAXWPUHT-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105256870
[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]oxolane
CID 65158223
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 65156287) is 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is NPFGLXXAXWPUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-10-19-17(9-7-13-5-4-11-21-13)15-8-6-14(20-2)12-16(15)18/h6,8,12-13,17,19H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65156287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).