4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine

C14H21FN2O — CID 66244984

IUPAC4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-16-14-10-18-9-12(14)8-17(2)7-11-3-5-13(15)6-4-11/h3-6,12,14,16H,7-10H2,1-2H3
InChIKeyIHWHDNVARCUBEY-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.49
Rot. Bonds5

About 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine

4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine (PubChem CID 66244984) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
PubChem CID66244984
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-16-14-10-18-9-12(14)8-17(2)7-11-3-5-13(15)6-4-11/h3-6,12,14,16H,7-10H2,1-2H3
InChIKeyIHWHDNVARCUBEY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine (CID 66244984) is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine is CNC1COCC1CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine?
The InChIKey is IHWHDNVARCUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-14-10-18-9-12(14)8-17(2)7-11-3-5-13(15)6-4-11/h3-6,12,14,16H,7-10H2,1-2H3.
What are the key properties of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine?
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine has a molecular weight of 252.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66244984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).