2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol

C15H19NO2 — CID 4723406

IUPAC2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-2-13(11-17)16-10-14-8-9-15(18-14)12-6-4-3-5-7-12/h3-9,13,16-17H,2,10-11H2,1H3
InChIKeyPBASCIKCDTYXKD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.81
Rot. Bonds6

About 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol

2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol (PubChem CID 4723406) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
PubChem CID4723406
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-2-13(11-17)16-10-14-8-9-15(18-14)12-6-4-3-5-7-12/h3-9,13,16-17H,2,10-11H2,1H3
InChIKeyPBASCIKCDTYXKD-UHFFFAOYSA-N
XLogP2.81
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol (CID 4723406) is 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol is CCC(CO)NCc1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
The InChIKey is PBASCIKCDTYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-13(11-17)16-10-14-8-9-15(18-14)12-6-4-3-5-7-12/h3-9,13,16-17H,2,10-11H2,1H3.
What are the key properties of 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol?
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 4723406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).