1-[4-(furan-2-yl)phenyl]-N-methylmethanamine

C12H13NO — CID 7537512

IUPAC1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C12H13NO/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKeyQJHXIMBULPYCDO-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.67
Rot. Bonds3

About 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine

1-[4-(furan-2-yl)phenyl]-N-methylmethanamine (PubChem CID 7537512) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
PubChem CID7537512
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C12H13NO/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKeyQJHXIMBULPYCDO-UHFFFAOYSA-N
XLogP2.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine (CID 7537512) is 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2ccco2)cc1.
What is the InChIKey of 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is QJHXIMBULPYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3.
What are the key properties of 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine?
1-[4-(furan-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 187.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 7537512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).