[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine

C10H14FNO2 — CID 103566052

IUPAC[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OCCF)c1
InChIInChI=1S/C10H14FNO2/c1-13-9-4-8(7-12)5-10(6-9)14-3-2-11/h4-6H,2-3,7,12H2,1H3
InChIKeyMKDWMJFWPYFJDH-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.50
Rot. Bonds5

About [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine

[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine (PubChem CID 103566052) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
PubChem CID103566052
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OCCF)c1
InChIInChI=1S/C10H14FNO2/c1-13-9-4-8(7-12)5-10(6-9)14-3-2-11/h4-6H,2-3,7,12H2,1H3
InChIKeyMKDWMJFWPYFJDH-UHFFFAOYSA-N
XLogP1.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053
[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
CID 103566172
[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 103566173
1,3,5-tris(2-fluoroethoxy)benzene
CID 22164154
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
(3-bromo-5-methoxyphenyl)methanamine
CID 53414441
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 103566148
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 103568226
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine (CID 103566052) is [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine is COc1cc(CN)cc(OCCF)c1.
What is the InChIKey of [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine?
The InChIKey is MKDWMJFWPYFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-9-4-8(7-12)5-10(6-9)14-3-2-11/h4-6H,2-3,7,12H2,1H3.
What are the key properties of [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine?
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine has a molecular weight of 199.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 103566052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).