1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine

C14H18N2O — CID 612020

IUPAC1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESCC1CN(C)C(C)c2c1oc1ccc(N)cc21
InChIInChI=1S/C14H18N2O/c1-8-7-16(3)9(2)13-11-6-10(15)4-5-12(11)17-14(8)13/h4-6,8-9H,7,15H2,1-3H3
InChIKeyQMKJMCYBXWJHIO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.12
Rot. Bonds

About 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine

1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine (PubChem CID 612020) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine
PubChem CID612020
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESCC1CN(C)C(C)c2c1oc1ccc(N)cc21
InChIInChI=1S/C14H18N2O/c1-8-7-16(3)9(2)13-11-6-10(15)4-5-12(11)17-14(8)13/h4-6,8-9H,7,15H2,1-3H3
InChIKeyQMKJMCYBXWJHIO-UHFFFAOYSA-N
XLogP3.12
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine?
The IUPAC name of 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine (CID 612020) is 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine.
What is the SMILES notation for 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine?
The canonical SMILES for 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine is CC1CN(C)C(C)c2c1oc1ccc(N)cc21.
What is the InChIKey of 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine?
The InChIKey is QMKJMCYBXWJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-7-16(3)9(2)13-11-6-10(15)4-5-12(11)17-14(8)13/h4-6,8-9H,7,15H2,1-3H3.
What are the key properties of 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine?
1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine has a molecular weight of 230.31 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-8-amine is sourced from PubChem (CID 612020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).