1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine

C14H20FNO2 — CID 43285091

IUPAC1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCCO2)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(16-2)11-5-6-14(13(15)8-11)18-9-12-4-3-7-17-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3
InChIKeyHHELDNJZVCGUCS-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine

1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine (PubChem CID 43285091) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
PubChem CID43285091
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCCO2)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(16-2)11-5-6-14(13(15)8-11)18-9-12-4-3-7-17-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3
InChIKeyHHELDNJZVCGUCS-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-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 106494705
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 99781783
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine (CID 43285091) is 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCC2CCCO2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine?
The InChIKey is HHELDNJZVCGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(16-2)11-5-6-14(13(15)8-11)18-9-12-4-3-7-17-12/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine?
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine 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-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).