2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

C15H19F3N2O — CID 25058302

IUPAC2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
SMILESCN(C)Cc1c(C(C)(C)O)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H19F3N2O/c1-14(2,21)13-11(8-20(3)4)10-7-9(15(16,17)18)5-6-12(10)19-13/h5-7,19,21H,8H2,1-4H3
InChIKeyCBPWXGFLRBEHOK-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.48
Rot. Bonds3

About 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol

2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol (PubChem CID 25058302) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
PubChem CID25058302
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol
SMILESCN(C)Cc1c(C(C)(C)O)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H19F3N2O/c1-14(2,21)13-11(8-20(3)4)10-7-9(15(16,17)18)5-6-12(10)19-13/h5-7,19,21H,8H2,1-4H3
InChIKeyCBPWXGFLRBEHOK-UHFFFAOYSA-N
XLogP3.48
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1H-indol-2-yl)methanol
CID 98783
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-phenyl-1H-indole-2-carbonitrile
CID 21318138
1-Hydroxy-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
CID 52943808
1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659336
[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanol
CID 10014625
1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol
CID 10060979
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol
CID 10378448
1-(4-Fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-ol
CID 24156283
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
2-(3-methyl-6-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24792664
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 24818824

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol (CID 25058302) is 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol is CN(C)Cc1c(C(C)(C)O)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
The InChIKey is CBPWXGFLRBEHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-14(2,21)13-11(8-20(3)4)10-7-9(15(16,17)18)5-6-12(10)19-13/h5-7,19,21H,8H2,1-4H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol?
2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol has a molecular weight of 300.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-indol-2-yl]propan-2-ol is sourced from PubChem (CID 25058302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).