2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline

C16H20N2O2 — CID 81299175

IUPAC2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
SMILESCOc1ccc(CN)c(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-19-14-7-4-12(10-17)16(9-14)18(13-5-6-13)11-15-3-2-8-20-15/h2-4,7-9,13H,5-6,10-11,17H2,1H3
InChIKeyCGPPWONHOZESLI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline

2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline (PubChem CID 81299175) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
PubChem CID81299175
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
SMILESCOc1ccc(CN)c(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C16H20N2O2/c1-19-14-7-4-12(10-17)16(9-14)18(13-5-6-13)11-15-3-2-8-20-15/h2-4,7-9,13H,5-6,10-11,17H2,1H3
InChIKeyCGPPWONHOZESLI-UHFFFAOYSA-N
XLogP2.92
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline (CID 81299175) is 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline is COc1ccc(CN)c(N(Cc2ccco2)C2CC2)c1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline?
The InChIKey is CGPPWONHOZESLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-7-4-12(10-17)16(9-14)18(13-5-6-13)11-15-3-2-8-20-15/h2-4,7-9,13H,5-6,10-11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline?
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline has a molecular weight of 272.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline is sourced from PubChem (CID 81299175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).