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

C15H22FNO2 — CID 43285198

IUPAC1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCCCO2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(17-2)12-6-7-15(14(16)9-12)19-10-13-5-3-4-8-18-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyFQVVPLUWPDXOCE-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.05
Rot. Bonds5

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

1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine (PubChem CID 43285198) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
PubChem CID43285198
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CCCCO2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(17-2)12-6-7-15(14(16)9-12)19-10-13-5-3-4-8-18-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyFQVVPLUWPDXOCE-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 106494705
(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine (CID 43285198) is 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCC2CCCCO2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine?
The InChIKey is FQVVPLUWPDXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(17-2)12-6-7-15(14(16)9-12)19-10-13-5-3-4-8-18-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine?
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.05, 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-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).