2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol

C17H21NO2 — CID 63182317

IUPAC2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
SMILESCC1CC1c1ccc(CNC(CO)c2ccccc2)o1
InChIInChI=1S/C17H21NO2/c1-12-9-15(12)17-8-7-14(20-17)10-18-16(11-19)13-5-3-2-4-6-13/h2-8,12,15-16,18-19H,9-11H2,1H3
InChIKeyFYLJPRUQZBXHTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.23
Rot. Bonds6

About 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol

2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol (PubChem CID 63182317) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
PubChem CID63182317
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
SMILESCC1CC1c1ccc(CNC(CO)c2ccccc2)o1
InChIInChI=1S/C17H21NO2/c1-12-9-15(12)17-8-7-14(20-17)10-18-16(11-19)13-5-3-2-4-6-13/h2-8,12,15-16,18-19H,9-11H2,1H3
InChIKeyFYLJPRUQZBXHTC-UHFFFAOYSA-N
XLogP3.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol?
The IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol (CID 63182317) is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol?
The canonical SMILES for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol is CC1CC1c1ccc(CNC(CO)c2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol?
The InChIKey is FYLJPRUQZBXHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-9-15(12)17-8-7-14(20-17)10-18-16(11-19)13-5-3-2-4-6-13/h2-8,12,15-16,18-19H,9-11H2,1H3.
What are the key properties of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol?
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol has a molecular weight of 271.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol is sourced from PubChem (CID 63182317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).