6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine

C10H9F3N2O — CID 170958883

IUPAC6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine
SMILESCOc1cc(N)c2cc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H9F3N2O/c1-16-5-2-7(14)6-4-9(10(11,12)13)15-8(6)3-5/h2-4,15H,14H2,1H3
InChIKeyNPVSOHVLZXDYCD-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.78
Rot. Bonds1

About 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine

6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine (PubChem CID 170958883) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine
PubChem CID170958883
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine
SMILESCOc1cc(N)c2cc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H9F3N2O/c1-16-5-2-7(14)6-4-9(10(11,12)13)15-8(6)3-5/h2-4,15H,14H2,1H3
InChIKeyNPVSOHVLZXDYCD-UHFFFAOYSA-N
XLogP2.78
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1H-indazol-4-amine
CID 24729622
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913
[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 83678476
6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 625643
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
2,5-dimethoxy-3-propan-2-ylaniline
CID 84666265
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
2-(trifluoromethyl)-1H-indol-4-ol
CID 67244990
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
4-amino-6-(trifluoromethyl)-1H-pyridine-2-thione
CID 118851503
N-[(4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-ium-4-ylidene]-4H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine
CID 170958623
6-methoxy-4-(trifluoromethyl)-9H-pyrimido[4,5-b]indole
CID 142769489

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine?
The IUPAC name of 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine (CID 170958883) is 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine.
What is the SMILES notation for 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine?
The canonical SMILES for 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine is COc1cc(N)c2cc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine?
The InChIKey is NPVSOHVLZXDYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-16-5-2-7(14)6-4-9(10(11,12)13)15-8(6)3-5/h2-4,15H,14H2,1H3.
What are the key properties of 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine?
6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine has a molecular weight of 230.19 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine is sourced from PubChem (CID 170958883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).