1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C14H20F4N2O — CID 107520566

IUPAC1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(OC)c(F)c1)CC(F)(F)F
InChIInChI=1S/C14H20F4N2O/c1-3-6-20(9-14(16,17)18)8-12(19)10-4-5-13(21-2)11(15)7-10/h4-5,7,12H,3,6,8-9,19H2,1-2H3
InChIKeyJKQMQCKIIMGFID-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.11
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107520566) has the molecular formula C14H20F4N2O and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107520566
Molecular FormulaC14H20F4N2O
Molecular Weight308.32 g/mol
Exact Mass308.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(OC)c(F)c1)CC(F)(F)F
InChIInChI=1S/C14H20F4N2O/c1-3-6-20(9-14(16,17)18)8-12(19)10-4-5-13(21-2)11(15)7-10/h4-5,7,12H,3,6,8-9,19H2,1-2H3
InChIKeyJKQMQCKIIMGFID-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

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Related Compounds

1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520564
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
CID 43271198
1-(3-fluoro-4-methoxyphenyl)-2-propylsulfonylethanamine
CID 82359979
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
2-[2-(diethylamino)ethylsulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107525302
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107520566) is 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CC(N)c1ccc(OC)c(F)c1)CC(F)(F)F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JKQMQCKIIMGFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2O/c1-3-6-20(9-14(16,17)18)8-12(19)10-4-5-13(21-2)11(15)7-10/h4-5,7,12H,3,6,8-9,19H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 308.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107520566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).