N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine

C13H15NO — CID 846122

IUPACN-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNCc2ccccc2)o1
InChIInChI=1S/C13H15NO/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKeyMQAGILLNJLJQDK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine

N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine (PubChem CID 846122) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
PubChem CID846122
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNCc2ccccc2)o1
InChIInChI=1S/C13H15NO/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKeyMQAGILLNJLJQDK-UHFFFAOYSA-N
XLogP2.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine (CID 846122) is N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine is Cc1ccc(CNCc2ccccc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is MQAGILLNJLJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 846122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).