(4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C18H22FNO — CID 65156051

IUPAC(4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2ccc(F)c3ccccc23)C1C
InChIInChI=1S/C18H22FNO/c1-10-11(2)21-12(3)17(10)18(20)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-12,17-18H,20H2,1-3H3
InChIKeyHAAZOAGIPWSXAG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds2

About (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156051) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156051
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2ccc(F)c3ccccc23)C1C
InChIInChI=1S/C18H22FNO/c1-10-11(2)21-12(3)17(10)18(20)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-12,17-18H,20H2,1-3H3
InChIKeyHAAZOAGIPWSXAG-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156051) is (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)c2ccc(F)c3ccccc23)C1C.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is HAAZOAGIPWSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-10-11(2)21-12(3)17(10)18(20)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-12,17-18H,20H2,1-3H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).