N-(furan-2-ylmethyl)-1-phenylpropan-2-amine

C14H17NO — CID 18116

IUPACN-(furan-2-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3
InChIKeyXWWSVBIGONHVQI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.00
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-phenylpropan-2-amine

N-(furan-2-ylmethyl)-1-phenylpropan-2-amine (PubChem CID 18116) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-phenylpropan-2-amine
PubChem CID18116
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(furan-2-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3
InChIKeyXWWSVBIGONHVQI-UHFFFAOYSA-N
XLogP3.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-phenylpropan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-phenylpropan-2-amine (CID 18116) is N-(furan-2-ylmethyl)-1-phenylpropan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-phenylpropan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-phenylpropan-2-amine?
The InChIKey is XWWSVBIGONHVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-phenylpropan-2-amine?
N-(furan-2-ylmethyl)-1-phenylpropan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-phenylpropan-2-amine is sourced from PubChem (CID 18116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).