(5-phenylfuran-2-yl)methyl-propan-2-ylazanium

C14H18NO+ — CID 41494845

IUPAC(5-phenylfuran-2-yl)methyl-propan-2-ylazanium
SMILESCC(C)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H17NO/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3/p+1
InChIKeyWPPQAAJWSRLDOO-UHFFFAOYSA-O
MW216.30 g/mol
LogP2.42
Rot. Bonds4

About (5-phenylfuran-2-yl)methyl-propan-2-ylazanium

(5-phenylfuran-2-yl)methyl-propan-2-ylazanium (PubChem CID 41494845) has the molecular formula C14H18NO+ and a molecular weight of 216.30 g/mol. Its IUPAC name is (5-phenylfuran-2-yl)methyl-propan-2-ylazanium.

Molecular Properties

Compound Name(5-phenylfuran-2-yl)methyl-propan-2-ylazanium
PubChem CID41494845
Molecular FormulaC14H18NO+
Molecular Weight216.30 g/mol
Exact Mass216.14
IUPAC Name(5-phenylfuran-2-yl)methyl-propan-2-ylazanium
SMILESCC(C)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H17NO/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3/p+1
InChIKeyWPPQAAJWSRLDOO-UHFFFAOYSA-O
XLogP2.42
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-phenylfuran-2-yl)methyl-propan-2-ylazanium?
The IUPAC name of (5-phenylfuran-2-yl)methyl-propan-2-ylazanium (CID 41494845) is (5-phenylfuran-2-yl)methyl-propan-2-ylazanium.
What is the SMILES notation for (5-phenylfuran-2-yl)methyl-propan-2-ylazanium?
The canonical SMILES for (5-phenylfuran-2-yl)methyl-propan-2-ylazanium is CC(C)[NH2+]Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of (5-phenylfuran-2-yl)methyl-propan-2-ylazanium?
The InChIKey is WPPQAAJWSRLDOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17NO/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3/p+1.
What are the key properties of (5-phenylfuran-2-yl)methyl-propan-2-ylazanium?
(5-phenylfuran-2-yl)methyl-propan-2-ylazanium has a molecular weight of 216.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylfuran-2-yl)methyl-propan-2-ylazanium is sourced from PubChem (CID 41494845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).