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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Related Compounds

N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
CID 82742861
3-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 82739555
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[3-bromo-4-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82741897
(1S)-1-[4-[methyl(oxolan-3-yl)amino]-3-nitrophenyl]ethanol
CID 82743094
(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742145
(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056
N-[2-[methyl(oxan-4-yl)amino]-4-propan-2-ylphenyl]hydroxylamine
CID 156878233
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352
N-[2-(2-aminoethyl)-4-fluorophenyl]-N-methyloxolan-3-amine
CID 82753960
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-3-yl)benzene-1,2-diamine
CID 82741003
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607

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).