3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine

C14H15NO — CID 139515766

IUPAC3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine
SMILESCC1(N)C=c2oc3c(c2=CC1)C=CC=CC3
InChIInChI=1S/C14H15NO/c1-14(15)8-7-11-10-5-3-2-4-6-12(10)16-13(11)9-14/h2-5,7,9H,6,8,15H2,1H3
InChIKeyBQUJPCHHAJCUDI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.09
Rot. Bonds

About 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine

3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine (PubChem CID 139515766) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine.

Molecular Properties

Compound Name3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine
PubChem CID139515766
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine
SMILESCC1(N)C=c2oc3c(c2=CC1)C=CC=CC3
InChIInChI=1S/C14H15NO/c1-14(15)8-7-11-10-5-3-2-4-6-12(10)16-13(11)9-14/h2-5,7,9H,6,8,15H2,1H3
InChIKeyBQUJPCHHAJCUDI-UHFFFAOYSA-N
XLogP1.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine?
The IUPAC name of 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine (CID 139515766) is 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine.
What is the SMILES notation for 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine?
The canonical SMILES for 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine is CC1(N)C=c2oc3c(c2=CC1)C=CC=CC3.
What is the InChIKey of 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine?
The InChIKey is BQUJPCHHAJCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(15)8-7-11-10-5-3-2-4-6-12(10)16-13(11)9-14/h2-5,7,9H,6,8,15H2,1H3.
What are the key properties of 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine?
3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine has a molecular weight of 213.28 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-dihydrocyclohepta[b][1]benzofuran-3-amine is sourced from PubChem (CID 139515766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).