1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine

C17H20FNO — CID 65156052

IUPAC1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H20FNO/c18-16-9-8-15(13-5-1-2-6-14(13)16)17(19)10-7-12-4-3-11-20-12/h1-2,5-6,8-9,12,17H,3-4,7,10-11,19H2
InChIKeyUFPWIDGIWIIDDI-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine

1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65156052) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65156052
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H20FNO/c18-16-9-8-15(13-5-1-2-6-14(13)16)17(19)10-7-12-4-3-11-20-12/h1-2,5-6,8-9,12,17H,3-4,7,10-11,19H2
InChIKeyUFPWIDGIWIIDDI-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine (CID 65156052) is 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine is NC(CCC1CCCO1)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is UFPWIDGIWIIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-16-9-8-15(13-5-1-2-6-14(13)16)17(19)10-7-12-4-3-11-20-12/h1-2,5-6,8-9,12,17H,3-4,7,10-11,19H2.
What are the key properties of 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine?
1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoronaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65156052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).