3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine

C14H20FNO — CID 112508407

IUPAC3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cc(F)ccc1OC)C1CC1
InChIInChI=1S/C14H20FNO/c1-16-8-7-12(10-3-4-10)13-9-11(15)5-6-14(13)17-2/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3
InChIKeyZOLIWYXSIBDETQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds6

About 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine

3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 112508407) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID112508407
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cc(F)ccc1OC)C1CC1
InChIInChI=1S/C14H20FNO/c1-16-8-7-12(10-3-4-10)13-9-11(15)5-6-14(13)17-2/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3
InChIKeyZOLIWYXSIBDETQ-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine
CID 112508997
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105176539
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974799
4-[chloro-(5-fluoro-2-methoxyphenyl)methyl]oxane
CID 55131402
[(5-fluoro-2-methoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233254
2-(5-fluoro-2-methoxyphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974794
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
3-cyclohexyl-3-(7-methoxy-1H-indol-3-yl)-N-methylpropan-1-amine
CID 58088422
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine (CID 112508407) is 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine is CNCCC(c1cc(F)ccc1OC)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is ZOLIWYXSIBDETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16-8-7-12(10-3-4-10)13-9-11(15)5-6-14(13)17-2/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine?
3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 112508407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).