[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol

C20H24N2O — CID 102581043

IUPAC[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
SMILESCCN(CC)Cc1c(-c2ccccc2)n(CO)c2ccccc12
InChIInChI=1S/C20H24N2O/c1-3-21(4-2)14-18-17-12-8-9-13-19(17)22(15-23)20(18)16-10-6-5-7-11-16/h5-13,23H,3-4,14-15H2,1-2H3
InChIKeyDSCKQIMRDQWGPK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.10
Rot. Bonds6

About [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol

[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol (PubChem CID 102581043) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol.

Molecular Properties

Compound Name[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
PubChem CID102581043
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
SMILESCCN(CC)Cc1c(-c2ccccc2)n(CO)c2ccccc12
InChIInChI=1S/C20H24N2O/c1-3-21(4-2)14-18-17-12-8-9-13-19(17)22(15-23)20(18)16-10-6-5-7-11-16/h5-13,23H,3-4,14-15H2,1-2H3
InChIKeyDSCKQIMRDQWGPK-UHFFFAOYSA-N
XLogP4.10
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol?
The IUPAC name of [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol (CID 102581043) is [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol.
What is the SMILES notation for [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol?
The canonical SMILES for [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol is CCN(CC)Cc1c(-c2ccccc2)n(CO)c2ccccc12.
What is the InChIKey of [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol?
The InChIKey is DSCKQIMRDQWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-21(4-2)14-18-17-12-8-9-13-19(17)22(15-23)20(18)16-10-6-5-7-11-16/h5-13,23H,3-4,14-15H2,1-2H3.
What are the key properties of [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol?
[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol has a molecular weight of 308.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol is sourced from PubChem (CID 102581043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).