3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol

C14H18F2N2O — CID 172624995

IUPAC3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
SMILESCN(CCc1c[nH]c2cccc(O)c12)CCC(F)F
InChIInChI=1S/C14H18F2N2O/c1-18(8-6-13(15)16)7-5-10-9-17-11-3-2-4-12(19)14(10)11/h2-4,9,13,17,19H,5-8H2,1H3
InChIKeyPENHIEDUXILWGR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.00
Rot. Bonds6

About 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol

3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol (PubChem CID 172624995) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
PubChem CID172624995
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
SMILESCN(CCc1c[nH]c2cccc(O)c12)CCC(F)F
InChIInChI=1S/C14H18F2N2O/c1-18(8-6-13(15)16)7-5-10-9-17-11-3-2-4-12(19)14(10)11/h2-4,9,13,17,19H,5-8H2,1H3
InChIKeyPENHIEDUXILWGR-UHFFFAOYSA-N
XLogP3.00
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] hexanoate
CID 177196026
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
CID 166468740
3-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]oxy]-3-oxopropanoic acid
CID 169222515
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315
2-[4-(difluoromethylsulfonyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 178014897
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
6-[[3-[2-(diethylamino)ethyl]-1H-indol-4-yl]oxy]-6-oxohexanoic acid
CID 169222299

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol (CID 172624995) is 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol is CN(CCc1c[nH]c2cccc(O)c12)CCC(F)F.
What is the InChIKey of 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol?
The InChIKey is PENHIEDUXILWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(8-6-13(15)16)7-5-10-9-17-11-3-2-4-12(19)14(10)11/h2-4,9,13,17,19H,5-8H2,1H3.
What are the key properties of 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol?
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol has a molecular weight of 268.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol is sourced from PubChem (CID 172624995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).