2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine

C14H20FNO — CID 115795640

IUPAC2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1)C1OCCC1C
InChIInChI=1S/C14H20FNO/c1-10-6-7-17-14(10)13(16-2)9-11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3
InChIKeyJHQJGHPHGYCSIY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine

2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 115795640) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID115795640
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1)C1OCCC1C
InChIInChI=1S/C14H20FNO/c1-10-6-7-17-14(10)13(16-2)9-11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3
InChIKeyJHQJGHPHGYCSIY-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115843648
2-(3-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115795534
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843431
2-(furan-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105029302
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105014570
N-[2-(3-bromo-5-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105015553
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
1-(3-ethyl-1,4-dithian-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 115387815
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine (CID 115795640) is 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is CNC(Cc1cccc(F)c1)C1OCCC1C.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is JHQJGHPHGYCSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-7-17-14(10)13(16-2)9-11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine?
2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115795640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).