1-(furan-2-yl)-N-methylethanamine

C7H11NO — CID 3161863

IUPAC1-(furan-2-yl)-N-methylethanamine
SMILESCNC(C)c1ccco1
InChIInChI=1S/C7H11NO/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3
InChIKeyBNBCJNJOLJAPMQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.56
Rot. Bonds2

About 1-(furan-2-yl)-N-methylethanamine

1-(furan-2-yl)-N-methylethanamine (PubChem CID 3161863) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methylethanamine
PubChem CID3161863
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(furan-2-yl)-N-methylethanamine
SMILESCNC(C)c1ccco1
InChIInChI=1S/C7H11NO/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3
InChIKeyBNBCJNJOLJAPMQ-UHFFFAOYSA-N
XLogP1.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methylethanamine?
The IUPAC name of 1-(furan-2-yl)-N-methylethanamine (CID 3161863) is 1-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methylethanamine is CNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methylethanamine?
The InChIKey is BNBCJNJOLJAPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(8-2)7-4-3-5-9-7/h3-6,8H,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methylethanamine?
1-(furan-2-yl)-N-methylethanamine has a molecular weight of 125.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 3161863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).