1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine

C13H17FN2 — CID 84740322

IUPAC1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C(C)C)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-8(2)13-11(7-15-3)10-6-9(14)4-5-12(10)16-13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyMTRFTVWZILQNJW-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.15
Rot. Bonds3

About 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine

1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine (PubChem CID 84740322) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
PubChem CID84740322
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C(C)C)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-8(2)13-11(7-15-3)10-6-9(14)4-5-12(10)16-13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyMTRFTVWZILQNJW-UHFFFAOYSA-N
XLogP3.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine 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

1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 84620713
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741788
2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84743209
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
CID 84632135
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54678717
3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole
CID 146400396
2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 164763836
3-(2-aminopropyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 170891713
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine (CID 84740322) is 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine is CNCc1c(C(C)C)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is MTRFTVWZILQNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-8(2)13-11(7-15-3)10-6-9(14)4-5-12(10)16-13/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine?
1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 220.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84740322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).