2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol

C15H22N2O — CID 170866980

IUPAC2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
SMILESCN(C)CCCc1cn(CCO)c2ccccc12
InChIInChI=1S/C15H22N2O/c1-16(2)9-5-6-13-12-17(10-11-18)15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3
InChIKeyAPRCGQUJOQINFW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol

2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol (PubChem CID 170866980) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
PubChem CID170866980
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
SMILESCN(C)CCCc1cn(CCO)c2ccccc12
InChIInChI=1S/C15H22N2O/c1-16(2)9-5-6-13-12-17(10-11-18)15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3
InChIKeyAPRCGQUJOQINFW-UHFFFAOYSA-N
XLogP2.13
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307
3-(1-cyclopentylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866965
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol?
The IUPAC name of 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol (CID 170866980) is 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol?
The canonical SMILES for 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol is CN(C)CCCc1cn(CCO)c2ccccc12.
What is the InChIKey of 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol?
The InChIKey is APRCGQUJOQINFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16(2)9-5-6-13-12-17(10-11-18)15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3.
What are the key properties of 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol?
2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol is sourced from PubChem (CID 170866980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).