1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C15H18N2O — CID 80567600

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2Cc3ccccc3N2)o1
InChIInChI=1S/C15H18N2O/c1-11-6-7-14(18-11)10-16-9-13-8-12-4-2-3-5-15(12)17-13/h2-7,13,16-17H,8-10H2,1H3
InChIKeyHAWRURWZHWQEDW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 80567600) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID80567600
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2Cc3ccccc3N2)o1
InChIInChI=1S/C15H18N2O/c1-11-6-7-14(18-11)10-16-9-13-8-12-4-2-3-5-15(12)17-13/h2-7,13,16-17H,8-10H2,1H3
InChIKeyHAWRURWZHWQEDW-UHFFFAOYSA-N
XLogP2.71
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 80567600) is 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCC2Cc3ccccc3N2)o1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is HAWRURWZHWQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-7-14(18-11)10-16-9-13-8-12-4-2-3-5-15(12)17-13/h2-7,13,16-17H,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 80567600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).