1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine

C16H18FNO — CID 65156003

IUPAC1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FNO/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(18)10-11-4-3-9-19-11/h1-2,5-8,11,16H,3-4,9-10,18H2
InChIKeyMGDDKDNMEASDMR-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine

1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65156003) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID65156003
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H18FNO/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(18)10-11-4-3-9-19-11/h1-2,5-8,11,16H,3-4,9-10,18H2
InChIKeyMGDDKDNMEASDMR-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.55
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)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine (CID 65156003) is 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine is NC(CC1CCCO1)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is MGDDKDNMEASDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(18)10-11-4-3-9-19-11/h1-2,5-8,11,16H,3-4,9-10,18H2.
What are the key properties of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine?
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.55, 3 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)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).