1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine

C14H20FNO — CID 55094104

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cc(F)ccc1C
InChIInChI=1S/C14H20FNO/c1-10-5-6-11(15)8-13(10)14(16-2)9-12-4-3-7-17-12/h5-6,8,12,14,16H,3-4,7,9H2,1-2H3
InChIKeyOXBHATWIXAOMBR-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 55094104) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID55094104
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cc(F)ccc1C
InChIInChI=1S/C14H20FNO/c1-10-5-6-11(15)8-13(10)14(16-2)9-12-4-3-7-17-12/h5-6,8,12,14,16H,3-4,7,9H2,1-2H3
InChIKeyOXBHATWIXAOMBR-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 15920820
CID 15920820
CID 3145047
CID 3145047
CID 53621829
CID 53621829
CID 3144564
CID 3144564
CID 91642765
CID 91642765
CID 155820598
CID 155820598
CID 103025005
CID 103025005
CID 103025674
CID 103025674
CID 103025729
CID 103025729
CID 103026106
CID 103026106
CID 103026109
CID 103026109
CID 103026172
CID 103026172

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 55094104) is 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is OXBHATWIXAOMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-11(15)8-13(10)14(16-2)9-12-4-3-7-17-12/h5-6,8,12,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 55094104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).