3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol

C14H20N2O — CID 23640750

IUPAC3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol
SMILESCN(C)Cc1c[nH]c2c(CCCO)cccc12
InChIInChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3
InChIKeyKKQDXWHOFSMCSA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.15
Rot. Bonds5

About 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol

3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol (PubChem CID 23640750) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol
PubChem CID23640750
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol
SMILESCN(C)Cc1c[nH]c2c(CCCO)cccc12
InChIInChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3
InChIKeyKKQDXWHOFSMCSA-UHFFFAOYSA-N
XLogP2.15
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol (CID 23640750) is 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol is CN(C)Cc1c[nH]c2c(CCCO)cccc12.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol?
The InChIKey is KKQDXWHOFSMCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol?
3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-1H-indol-7-yl]propan-1-ol is sourced from PubChem (CID 23640750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).