4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline

C14H22F2N2O2 — CID 171534600

IUPAC4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline
SMILESCOc1cc(N(CCF)CCF)c(OC)cc1CCN
InChIInChI=1S/C14H22F2N2O2/c1-19-13-10-12(18(7-4-15)8-5-16)14(20-2)9-11(13)3-6-17/h9-10H,3-8,17H2,1-2H3
InChIKeyKZSFEHKUHRLHSP-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.95
Rot. Bonds9

About 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline

4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline (PubChem CID 171534600) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline
PubChem CID171534600
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline
SMILESCOc1cc(N(CCF)CCF)c(OC)cc1CCN
InChIInChI=1S/C14H22F2N2O2/c1-19-13-10-12(18(7-4-15)8-5-16)14(20-2)9-11(13)3-6-17/h9-10H,3-8,17H2,1-2H3
InChIKeyKZSFEHKUHRLHSP-UHFFFAOYSA-N
XLogP1.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
2-[4-(2-fluoroethenyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 174237959
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[4-(2-fluoroethyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534578
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(2,5-dimethoxy-4-prop-2-enylsulfanylphenyl)ethanamine
CID 12063256
2-[4-(2,2-difluoroethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 12063258
2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
CID 76967015

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline?
The IUPAC name of 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline (CID 171534600) is 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline?
The canonical SMILES for 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline is COc1cc(N(CCF)CCF)c(OC)cc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline?
The InChIKey is KZSFEHKUHRLHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-19-13-10-12(18(7-4-15)8-5-16)14(20-2)9-11(13)3-6-17/h9-10H,3-8,17H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline?
4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline has a molecular weight of 288.34 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 171534600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).