N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine

C14H18FNO — CID 75516837

IUPACN-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO/c1-10-13(6-9-17-10)16-14(7-8-14)11-4-2-3-5-12(11)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyYIKQYEXEYFELNV-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine

N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine (PubChem CID 75516837) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine
PubChem CID75516837
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1(c2ccccc2F)CC1
InChIInChI=1S/C14H18FNO/c1-10-13(6-9-17-10)16-14(7-8-14)11-4-2-3-5-12(11)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyYIKQYEXEYFELNV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine (CID 75516837) is N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine is CC1OCCC1NC1(c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine?
The InChIKey is YIKQYEXEYFELNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-13(6-9-17-10)16-14(7-8-14)11-4-2-3-5-12(11)15/h2-5,10,13,16H,6-9H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine?
N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine has a molecular weight of 235.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 75516837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).