1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol

C17H18N2O — CID 44610017

IUPAC1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol
SMILESCNCc1ccccc1C(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H18N2O/c1-18-11-14-4-2-3-5-15(14)17(20)13-6-7-16-12(10-13)8-9-19-16/h2-10,17-20H,11H2,1H3
InChIKeyOPKFIAMEMZUCSV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.97
Rot. Bonds4

About 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol

1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol (PubChem CID 44610017) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol.

Molecular Properties

Compound Name1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol
PubChem CID44610017
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol
SMILESCNCc1ccccc1C(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H18N2O/c1-18-11-14-4-2-3-5-15(14)17(20)13-6-7-16-12(10-13)8-9-19-16/h2-10,17-20H,11H2,1H3
InChIKeyOPKFIAMEMZUCSV-UHFFFAOYSA-N
XLogP2.97
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol?
The IUPAC name of 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol (CID 44610017) is 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol.
What is the SMILES notation for 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol?
The canonical SMILES for 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol is CNCc1ccccc1C(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol?
The InChIKey is OPKFIAMEMZUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-11-14-4-2-3-5-15(14)17(20)13-6-7-16-12(10-13)8-9-19-16/h2-10,17-20H,11H2,1H3.
What are the key properties of 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol?
1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol has a molecular weight of 266.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol is sourced from PubChem (CID 44610017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).