2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol

C14H19FN2O — CID 25058304

IUPAC2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol
SMILESCN(C)Cc1c(C(C)(C)O)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H19FN2O/c1-14(2,18)13-11(8-17(3)4)10-6-5-9(15)7-12(10)16-13/h5-7,16,18H,8H2,1-4H3
InChIKeyBDOCQGFNMRFTBC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.60
Rot. Bonds3

About 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol

2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol (PubChem CID 25058304) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol
PubChem CID25058304
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol
SMILESCN(C)Cc1c(C(C)(C)O)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H19FN2O/c1-14(2,18)13-11(8-17(3)4)10-6-5-9(15)7-12(10)16-13/h5-7,16,18H,8H2,1-4H3
InChIKeyBDOCQGFNMRFTBC-UHFFFAOYSA-N
XLogP2.60
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(dimethylamino)methyl]-2-(2-hydroxypropan-2-yl)-1H-indole-5-carboxylate
CID 25011625
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82498821
1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
CID 84632135
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 13384095
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 164763836
3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627861
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84632825
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol (CID 25058304) is 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol is CN(C)Cc1c(C(C)(C)O)[nH]c2cc(F)ccc12.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol?
The InChIKey is BDOCQGFNMRFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,18)13-11(8-17(3)4)10-6-5-9(15)7-12(10)16-13/h5-7,16,18H,8H2,1-4H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol?
2-[3-[(dimethylamino)methyl]-6-fluoro-1H-indol-2-yl]propan-2-ol has a molecular weight of 250.32 g/mol, XLogP of 2.60, 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]-6-fluoro-1H-indol-2-yl]propan-2-ol is sourced from PubChem (CID 25058304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).