[3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine

C17H20N2O — CID 13324738

IUPAC[3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc2c(c1)CCN2Cc1cccc(CN)c1
InChIInChI=1S/C17H20N2O/c1-20-16-5-6-17-15(10-16)7-8-19(17)12-14-4-2-3-13(9-14)11-18/h2-6,9-10H,7-8,11-12,18H2,1H3
InChIKeyDIGNNTVHOJDQKG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.72
Rot. Bonds4

About [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine

[3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine (PubChem CID 13324738) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
PubChem CID13324738
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc2c(c1)CCN2Cc1cccc(CN)c1
InChIInChI=1S/C17H20N2O/c1-20-16-5-6-17-15(10-16)7-8-19(17)12-14-4-2-3-13(9-14)11-18/h2-6,9-10H,7-8,11-12,18H2,1H3
InChIKeyDIGNNTVHOJDQKG-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine (CID 13324738) is [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine is COc1ccc2c(c1)CCN2Cc1cccc(CN)c1.
What is the InChIKey of [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is DIGNNTVHOJDQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-16-5-6-17-15(10-16)7-8-19(17)12-14-4-2-3-13(9-14)11-18/h2-6,9-10H,7-8,11-12,18H2,1H3.
What are the key properties of [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine?
[3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 13324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).