1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine

C16H19FN2O2 — CID 65377102

IUPAC1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccccc2F)c(OC)c1
InChIInChI=1S/C16H19FN2O2/c1-20-11-7-8-12(16(9-11)21-2)15(10-18)19-14-6-4-3-5-13(14)17/h3-9,15,19H,10,18H2,1-2H3
InChIKeyFYRCCPZCZXEPDL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.95
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine

1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 65377102) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID65377102
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccccc2F)c(OC)c1
InChIInChI=1S/C16H19FN2O2/c1-20-11-7-8-12(16(9-11)21-2)15(10-18)19-14-6-4-3-5-13(14)17/h3-9,15,19H,10,18H2,1-2H3
InChIKeyFYRCCPZCZXEPDL-UHFFFAOYSA-N
XLogP2.95
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 114488001
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(2,5-difluorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377111
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
CID 24688569
2-anilino-2-(2,4-dimethoxyphenyl)ethanol
CID 61047149
3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176320
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine (CID 65377102) is 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2ccccc2F)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is FYRCCPZCZXEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-20-11-7-8-12(16(9-11)21-2)15(10-18)19-14-6-4-3-5-13(14)17/h3-9,15,19H,10,18H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 290.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).