(3-methylfuran-2-yl)methanamine

C6H9NO — CID 18187367

IUPAC(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1CN
InChIInChI=1S/C6H9NO/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKeyCTGIVQJZUKJDNH-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.05
Rot. Bonds1

About (3-methylfuran-2-yl)methanamine

(3-methylfuran-2-yl)methanamine (PubChem CID 18187367) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-methylfuran-2-yl)methanamine
PubChem CID18187367
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1CN
InChIInChI=1S/C6H9NO/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKeyCTGIVQJZUKJDNH-UHFFFAOYSA-N
XLogP1.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)methanamine?
The IUPAC name of (3-methylfuran-2-yl)methanamine (CID 18187367) is (3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (3-methylfuran-2-yl)methanamine?
The canonical SMILES for (3-methylfuran-2-yl)methanamine is Cc1ccoc1CN.
What is the InChIKey of (3-methylfuran-2-yl)methanamine?
The InChIKey is CTGIVQJZUKJDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3.
What are the key properties of (3-methylfuran-2-yl)methanamine?
(3-methylfuran-2-yl)methanamine has a molecular weight of 111.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 18187367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).