1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol

C16H22N2O — CID 156852031

IUPAC1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol
SMILESCN(C)CCc1cn(CC2CC2)c2cccc(O)c12
InChIInChI=1S/C16H22N2O/c1-17(2)9-8-13-11-18(10-12-6-7-12)14-4-3-5-15(19)16(13)14/h3-5,11-12,19H,6-10H2,1-2H3
InChIKeySJJZDXFWNBMUPH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.86
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol

1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol (PubChem CID 156852031) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol
PubChem CID156852031
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol
SMILESCN(C)CCc1cn(CC2CC2)c2cccc(O)c12
InChIInChI=1S/C16H22N2O/c1-17(2)9-8-13-11-18(10-12-6-7-12)14-4-3-5-15(19)16(13)14/h3-5,11-12,19H,6-10H2,1-2H3
InChIKeySJJZDXFWNBMUPH-UHFFFAOYSA-N
XLogP2.86
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol (CID 156852031) is 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol is CN(C)CCc1cn(CC2CC2)c2cccc(O)c12.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol?
The InChIKey is SJJZDXFWNBMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17(2)9-8-13-11-18(10-12-6-7-12)14-4-3-5-15(19)16(13)14/h3-5,11-12,19H,6-10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol?
1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol has a molecular weight of 258.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol is sourced from PubChem (CID 156852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).