2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine

C10H14FNO2 — CID 71493307

IUPAC2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
SMILESCOc1cc(F)c(OC)[13cH]c1CCN
InChIInChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3/i5+1
InChIKeyQAVFEDRVOUKIPM-HOSYLAQJSA-N
MW200.22 g/mol
LogP1.34
Rot. Bonds4

About 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine

2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine (PubChem CID 71493307) has the molecular formula C10H14FNO2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
PubChem CID71493307
Molecular FormulaC10H14FNO2
Molecular Weight200.22 g/mol
Exact Mass200.10
IUPAC Name2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
SMILESCOc1cc(F)c(OC)[13cH]c1CCN
InChIInChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3/i5+1
InChIKeyQAVFEDRVOUKIPM-HOSYLAQJSA-N
XLogP1.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
CID 169440593
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
2-[4-(2-fluoroethyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534578
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 174237959
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline
CID 171534600

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine (CID 71493307) is 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine is COc1cc(F)c(OC)[13cH]c1CCN.
What is the InChIKey of 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine?
The InChIKey is QAVFEDRVOUKIPM-HOSYLAQJSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3/i5+1.
What are the key properties of 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine?
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine has a molecular weight of 200.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine is sourced from PubChem (CID 71493307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).