3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine

C12H13F3N2 — CID 84737103

IUPAC3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1cccc2[nH]cc(C(CN)C(F)(F)F)c12
InChIInChI=1S/C12H13F3N2/c1-7-3-2-4-10-11(7)8(6-17-10)9(5-16)12(13,14)15/h2-4,6,9,17H,5,16H2,1H3
InChIKeyQMXIIHOBQOOQPH-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.08
Rot. Bonds2

About 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine

3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 84737103) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID84737103
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1cccc2[nH]cc(C(CN)C(F)(F)F)c12
InChIInChI=1S/C12H13F3N2/c1-7-3-2-4-10-11(7)8(6-17-10)9(5-16)12(13,14)15/h2-4,6,9,17H,5,16H2,1H3
InChIKeyQMXIIHOBQOOQPH-UHFFFAOYSA-N
XLogP3.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
CID 171867517
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
(2S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944821
(2S,3S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944842
3,4-dimethyl-1H-indole;ethane
CID 143293593
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
CID 175089456
3-methyl-4-propan-2-yl-1H-indole
CID 142488673
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine (CID 84737103) is 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine is Cc1cccc2[nH]cc(C(CN)C(F)(F)F)c12.
What is the InChIKey of 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is QMXIIHOBQOOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-7-3-2-4-10-11(7)8(6-17-10)9(5-16)12(13,14)15/h2-4,6,9,17H,5,16H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine?
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 242.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 84737103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).