1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

C16H25FN2O — CID 82744250

IUPAC1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCOC1C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-12-16(9-11-20-12)19(3)10-8-15(18-2)13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,8-11H2,1-3H3
InChIKeyZJPICJCKDYJTOI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.59
Rot. Bonds6

About 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (PubChem CID 82744250) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
PubChem CID82744250
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCOC1C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-12-16(9-11-20-12)19(3)10-8-15(18-2)13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,8-11H2,1-3H3
InChIKeyZJPICJCKDYJTOI-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62644190
N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
CID 82743525
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82753878
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521860
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
N-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754893
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (CID 82744250) is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is CNC(CCN(C)C1CCOC1C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is ZJPICJCKDYJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12-16(9-11-20-12)19(3)10-8-15(18-2)13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82744250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).