N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine

C14H20FNO — CID 139410309

IUPACN-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
SMILESCC(C)c1ccc(N(C)C2CCOC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10(2)11-4-5-14(13(15)8-11)16(3)12-6-7-17-9-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyRNYIDUKKPOOTGO-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.17
Rot. Bonds3

About N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine

N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine (PubChem CID 139410309) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
PubChem CID139410309
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
SMILESCC(C)c1ccc(N(C)C2CCOC2)c(F)c1
InChIInChI=1S/C14H20FNO/c1-10(2)11-4-5-14(13(15)8-11)16(3)12-6-7-17-9-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyRNYIDUKKPOOTGO-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine?
The IUPAC name of N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine (CID 139410309) is N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine.
What is the SMILES notation for N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine?
The canonical SMILES for N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine is CC(C)c1ccc(N(C)C2CCOC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine?
The InChIKey is RNYIDUKKPOOTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)11-4-5-14(13(15)8-11)16(3)12-6-7-17-9-12/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine?
N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine has a molecular weight of 237.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine is sourced from PubChem (CID 139410309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).