N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine

C14H20FNO2 — CID 107695487

IUPACN-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCC1CCOC1
InChIInChI=1S/C14H20FNO2/c1-2-16-8-12-7-13(15)3-4-14(12)18-10-11-5-6-17-9-11/h3-4,7,11,16H,2,5-6,8-10H2,1H3
InChIKeyAWFWBZPDKNWKSV-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.35
Rot. Bonds6

About N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine

N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 107695487) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID107695487
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OCC1CCOC1
InChIInChI=1S/C14H20FNO2/c1-2-16-8-12-7-13(15)3-4-14(12)18-10-11-5-6-17-9-11/h3-4,7,11,16H,2,5-6,8-10H2,1H3
InChIKeyAWFWBZPDKNWKSV-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
5-[[2-(ethylaminomethyl)-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 107695754
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 62134262
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine (CID 107695487) is N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OCC1CCOC1.
What is the InChIKey of N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is AWFWBZPDKNWKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-16-8-12-7-13(15)3-4-14(12)18-10-11-5-6-17-9-11/h3-4,7,11,16H,2,5-6,8-10H2,1H3.
What are the key properties of N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine?
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107695487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).