2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride

C12H17ClFNO2 — CID 174237959

IUPAC2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
SMILESCOc1cc(CCN)c(OC)cc1C=CF.Cl
InChIInChI=1S/C12H16FNO2.ClH/c1-15-11-8-10(4-6-14)12(16-2)7-9(11)3-5-13;/h3,5,7-8H,4,6,14H2,1-2H3;1H
InChIKeyQQMNEDGWBZZOTH-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride

2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride (PubChem CID 174237959) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
PubChem CID174237959
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
SMILESCOc1cc(CCN)c(OC)cc1C=CF.Cl
InChIInChI=1S/C12H16FNO2.ClH/c1-15-11-8-10(4-6-14)12(16-2)7-9(11)3-5-13;/h3,5,7-8H,4,6,14H2,1-2H3;1H
InChIKeyQQMNEDGWBZZOTH-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline
CID 171534600
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
CID 76967015
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534553
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
2-(2,5-dimethoxy-4-prop-2-enylsulfanylphenyl)ethanamine
CID 12063256
2-[4-(2,2-difluoroethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 12063258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride (CID 174237959) is 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride is COc1cc(CCN)c(OC)cc1C=CF.Cl.
What is the InChIKey of 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride?
The InChIKey is QQMNEDGWBZZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2.ClH/c1-15-11-8-10(4-6-14)12(16-2)7-9(11)3-5-13;/h3,5,7-8H,4,6,14H2,1-2H3;1H.
What are the key properties of 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride?
2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride has a molecular weight of 261.72 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride is sourced from PubChem (CID 174237959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).