1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine

C12H16FNO — CID 43481313

IUPAC1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C12H16FNO/c1-14-12(11-3-2-8-15-11)9-4-6-10(13)7-5-9/h4-7,11-12,14H,2-3,8H2,1H3
InChIKeyCKCVGVMIJJZNRQ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 43481313) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID43481313
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C12H16FNO/c1-14-12(11-3-2-8-15-11)9-4-6-10(13)7-5-9/h4-7,11-12,14H,2-3,8H2,1H3
InChIKeyCKCVGVMIJJZNRQ-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 43481313) is 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1ccc(F)cc1)C1CCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is CKCVGVMIJJZNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-12(11-3-2-8-15-11)9-4-6-10(13)7-5-9/h4-7,11-12,14H,2-3,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).