2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine

C15H22FNO — CID 114075963

IUPAC2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOC(c2cc(F)ccc2C)C1
InChIInChI=1S/C15H22FNO/c1-3-7-17-13-6-8-18-15(10-13)14-9-12(16)5-4-11(14)2/h4-5,9,13,15,17H,3,6-8,10H2,1-2H3
InChIKeyIIVAXYPPHNLWSA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.35
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine

2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine (PubChem CID 114075963) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine
PubChem CID114075963
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOC(c2cc(F)ccc2C)C1
InChIInChI=1S/C15H22FNO/c1-3-7-17-13-6-8-18-15(10-13)14-9-12(16)5-4-11(14)2/h4-5,9,13,15,17H,3,6-8,10H2,1-2H3
InChIKeyIIVAXYPPHNLWSA-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine (CID 114075963) is 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine is CCCNC1CCOC(c2cc(F)ccc2C)C1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine?
The InChIKey is IIVAXYPPHNLWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-7-17-13-6-8-18-15(10-13)14-9-12(16)5-4-11(14)2/h4-5,9,13,15,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine?
2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine has a molecular weight of 251.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine is sourced from PubChem (CID 114075963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).