3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline

C16H19FN2O — CID 106532772

IUPAC3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline
SMILESNCCc1cc(F)cc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C16H19FN2O/c17-13-8-12(5-6-18)9-15(10-13)19(14-3-4-14)11-16-2-1-7-20-16/h1-2,7-10,14H,3-6,11,18H2
InChIKeyMQXGRCSVNYNMDF-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.09
Rot. Bonds6

About 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline

3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline (PubChem CID 106532772) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline
PubChem CID106532772
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline
SMILESNCCc1cc(F)cc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C16H19FN2O/c17-13-8-12(5-6-18)9-15(10-13)19(14-3-4-14)11-16-2-1-7-20-16/h1-2,7-10,14H,3-6,11,18H2
InChIKeyMQXGRCSVNYNMDF-UHFFFAOYSA-N
XLogP3.09
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
CID 106529823
N-cyclopropyl-3-fluoro-N-(furan-2-ylmethyl)-5-nitroaniline
CID 80753176
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402832
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 62946093
5-N-cyclopropyl-3-N-ethyl-5-N-(furan-2-ylmethyl)pyridine-3,5-diamine
CID 104533818

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline (CID 106532772) is 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline is NCCc1cc(F)cc(N(Cc2ccco2)C2CC2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline?
The InChIKey is MQXGRCSVNYNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-13-8-12(5-6-18)9-15(10-13)19(14-3-4-14)11-16-2-1-7-20-16/h1-2,7-10,14H,3-6,11,18H2.
What are the key properties of 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline?
3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline has a molecular weight of 274.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 106532772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).