[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine

C14H12FNO3 — CID 43314084

IUPAC[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12FNO3/c15-10-1-3-12(9(5-10)7-16)19-11-2-4-13-14(6-11)18-8-17-13/h1-6H,7-8,16H2
InChIKeyYIGYDQGRECBVHM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.81
Rot. Bonds3

About [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine

[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine (PubChem CID 43314084) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
PubChem CID43314084
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12FNO3/c15-10-1-3-12(9(5-10)7-16)19-11-2-4-13-14(6-11)18-8-17-13/h1-6H,7-8,16H2
InChIKeyYIGYDQGRECBVHM-UHFFFAOYSA-N
XLogP2.81
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
1-[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]-N-methylethanamine
CID 43284922
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
4-(1,3-benzodioxol-5-yloxy)-3-fluorobenzoic acid
CID 28604714
1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine (CID 43314084) is [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine is NCc1cc(F)ccc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine?
The InChIKey is YIGYDQGRECBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-10-1-3-12(9(5-10)7-16)19-11-2-4-13-14(6-11)18-8-17-13/h1-6H,7-8,16H2.
What are the key properties of [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine?
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine has a molecular weight of 261.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43314084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).