1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine

C14H20FNO2 — CID 62797333

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-16-13(9-11-4-3-7-18-11)10-5-6-14(17-2)12(15)8-10/h5-6,8,11,13,16H,3-4,7,9H2,1-2H3
InChIKeyHVRBPQQOXVMDMH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 62797333) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID62797333
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-16-13(9-11-4-3-7-18-11)10-5-6-14(17-2)12(15)8-10/h5-6,8,11,13,16H,3-4,7,9H2,1-2H3
InChIKeyHVRBPQQOXVMDMH-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-piperidin-4-ylethanamine
CID 116951797
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 62797333) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is HVRBPQQOXVMDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-13(9-11-4-3-7-18-11)10-5-6-14(17-2)12(15)8-10/h5-6,8,11,13,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62797333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).