N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline

C18H19NO2 — CID 86799489

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline
SMILESC#CCOc1ccccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C18H19NO2/c1-3-10-20-18-7-5-4-6-16(18)19-12-14-8-9-17(21-14)15-11-13(15)2/h1,4-9,13,15,19H,10-12H2,2H3
InChIKeyYXWQXAXKPFPYLX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.03
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline (PubChem CID 86799489) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline
PubChem CID86799489
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline
SMILESC#CCOc1ccccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C18H19NO2/c1-3-10-20-18-7-5-4-6-16(18)19-12-14-8-9-17(21-14)15-11-13(15)2/h1,4-9,13,15,19H,10-12H2,2H3
InChIKeyYXWQXAXKPFPYLX-UHFFFAOYSA-N
XLogP4.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline (CID 86799489) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline is C#CCOc1ccccc1NCc1ccc(C2CC2C)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline?
The InChIKey is YXWQXAXKPFPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-10-20-18-7-5-4-6-16(18)19-12-14-8-9-17(21-14)15-11-13(15)2/h1,4-9,13,15,19H,10-12H2,2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline has a molecular weight of 281.36 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-prop-2-ynoxyaniline is sourced from PubChem (CID 86799489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).