1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine

C16H19FN2O2 — CID 65377943

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccccc2F)cc1OC
InChIInChI=1S/C16H19FN2O2/c1-20-15-8-7-11(9-16(15)21-2)14(10-18)19-13-6-4-3-5-12(13)17/h3-9,14,19H,10,18H2,1-2H3
InChIKeyWNZZGTZRBWDXQI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.95
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine

1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 65377943) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID65377943
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2ccccc2F)cc1OC
InChIInChI=1S/C16H19FN2O2/c1-20-15-8-7-11(9-16(15)21-2)14(10-18)19-13-6-4-3-5-12(13)17/h3-9,14,19H,10,18H2,1-2H3
InChIKeyWNZZGTZRBWDXQI-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
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
N-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65383483
2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514914

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine (CID 65377943) is 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2ccccc2F)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is WNZZGTZRBWDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-20-15-8-7-11(9-16(15)21-2)14(10-18)19-13-6-4-3-5-12(13)17/h3-9,14,19H,10,18H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
1-(3,4-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-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).