N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine

C19H29FN2O2 — CID 45230305

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
SMILESCC(C)(CN1CCOCC1)NCC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C19H29FN2O2/c1-18(2,14-22-7-10-23-11-8-22)21-13-19(6-9-24-15-19)16-4-3-5-17(20)12-16/h3-5,12,21H,6-11,13-15H2,1-2H3
InChIKeyWRSCMHPXPBGGGP-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.18
Rot. Bonds6

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine (PubChem CID 45230305) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
PubChem CID45230305
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
SMILESCC(C)(CN1CCOCC1)NCC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C19H29FN2O2/c1-18(2,14-22-7-10-23-11-8-22)21-13-19(6-9-24-15-19)16-4-3-5-17(20)12-16/h3-5,12,21H,6-11,13-15H2,1-2H3
InChIKeyWRSCMHPXPBGGGP-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine (CID 45230305) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine is CC(C)(CN1CCOCC1)NCC1(c2cccc(F)c2)CCOC1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The InChIKey is WRSCMHPXPBGGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-18(2,14-22-7-10-23-11-8-22)21-13-19(6-9-24-15-19)16-4-3-5-17(20)12-16/h3-5,12,21H,6-11,13-15H2,1-2H3.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine has a molecular weight of 336.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 45230305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).