N-methyl-1,3-dihydro-2-benzofuran-1-amine

C9H11NO — CID 141076317

IUPACN-methyl-1,3-dihydro-2-benzofuran-1-amine
SMILESCNC1OCc2ccccc21
InChIInChI=1S/C9H11NO/c1-10-9-8-5-3-2-4-7(8)6-11-9/h2-5,9-10H,6H2,1H3
InChIKeyCDUTXCZCVBDCDU-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.43
Rot. Bonds1

About N-methyl-1,3-dihydro-2-benzofuran-1-amine

N-methyl-1,3-dihydro-2-benzofuran-1-amine (PubChem CID 141076317) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-methyl-1,3-dihydro-2-benzofuran-1-amine.

Molecular Properties

Compound NameN-methyl-1,3-dihydro-2-benzofuran-1-amine
PubChem CID141076317
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-methyl-1,3-dihydro-2-benzofuran-1-amine
SMILESCNC1OCc2ccccc21
InChIInChI=1S/C9H11NO/c1-10-9-8-5-3-2-4-7(8)6-11-9/h2-5,9-10H,6H2,1H3
InChIKeyCDUTXCZCVBDCDU-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dihydro-2-benzofuran-1-amine?
The IUPAC name of N-methyl-1,3-dihydro-2-benzofuran-1-amine (CID 141076317) is N-methyl-1,3-dihydro-2-benzofuran-1-amine.
What is the SMILES notation for N-methyl-1,3-dihydro-2-benzofuran-1-amine?
The canonical SMILES for N-methyl-1,3-dihydro-2-benzofuran-1-amine is CNC1OCc2ccccc21.
What is the InChIKey of N-methyl-1,3-dihydro-2-benzofuran-1-amine?
The InChIKey is CDUTXCZCVBDCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-9-8-5-3-2-4-7(8)6-11-9/h2-5,9-10H,6H2,1H3.
What are the key properties of N-methyl-1,3-dihydro-2-benzofuran-1-amine?
N-methyl-1,3-dihydro-2-benzofuran-1-amine has a molecular weight of 149.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dihydro-2-benzofuran-1-amine is sourced from PubChem (CID 141076317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).