N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine

C13H18FNO — CID 115335502

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10-13(7-9-16-10)15-8-6-11-2-4-12(14)5-3-11/h2-5,10,13,15H,6-9H2,1H3
InChIKeySFLNIHKYOBWWGK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine

N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine (PubChem CID 115335502) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
PubChem CID115335502
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10-13(7-9-16-10)15-8-6-11-2-4-12(14)5-3-11/h2-5,10,13,15H,6-9H2,1H3
InChIKeySFLNIHKYOBWWGK-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine (CID 115335502) is N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine is CC1OCCC1NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is SFLNIHKYOBWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-13(7-9-16-10)15-8-6-11-2-4-12(14)5-3-11/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 223.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).