N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine

C13H15NO — CID 60980930

IUPACN-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccoc2)cc1
InChIInChI=1S/C13H15NO/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-15-10-13/h2-7,10,14H,8-9H2,1H3
InChIKeySMIZILINECITFW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine

N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine (PubChem CID 60980930) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
PubChem CID60980930
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccoc2)cc1
InChIInChI=1S/C13H15NO/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-15-10-13/h2-7,10,14H,8-9H2,1H3
InChIKeySMIZILINECITFW-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-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine (CID 60980930) is N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2ccoc2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine?
The InChIKey is SMIZILINECITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-15-10-13/h2-7,10,14H,8-9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine?
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine 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-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 60980930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).