N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine

C18H18F3N3O — CID 167350850

IUPACN-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
SMILESCOCCNc1ccc(-c2c[nH]c3c(C(F)(F)F)cccc23)nc1C
InChIInChI=1S/C18H18F3N3O/c1-11-15(22-8-9-25-2)6-7-16(24-11)13-10-23-17-12(13)4-3-5-14(17)18(19,20)21/h3-7,10,22-23H,8-9H2,1-2H3
InChIKeyODZUHCKJGGIJPP-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.62
Rot. Bonds5

About N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine

N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine (PubChem CID 167350850) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
PubChem CID167350850
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
SMILESCOCCNc1ccc(-c2c[nH]c3c(C(F)(F)F)cccc23)nc1C
InChIInChI=1S/C18H18F3N3O/c1-11-15(22-8-9-25-2)6-7-16(24-11)13-10-23-17-12(13)4-3-5-14(17)18(19,20)21/h3-7,10,22-23H,8-9H2,1-2H3
InChIKeyODZUHCKJGGIJPP-UHFFFAOYSA-N
XLogP4.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 153485154
6-chloro-N-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 154972841
2-methyl-6-(7-methyl-1H-indol-3-yl)pyridin-3-ol
CID 162628575
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
CID 117197300
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775
3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605232
8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 110432998
3-N-(2-methoxyethyl)-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112943606
4-(3-fluorophenyl)-N-(2-methoxyethyl)-5-methyl-1H-pyrazol-3-amine
CID 114834548

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine (CID 167350850) is N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine is COCCNc1ccc(-c2c[nH]c3c(C(F)(F)F)cccc23)nc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine?
The InChIKey is ODZUHCKJGGIJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-11-15(22-8-9-25-2)6-7-16(24-11)13-10-23-17-12(13)4-3-5-14(17)18(19,20)21/h3-7,10,22-23H,8-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine?
N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine has a molecular weight of 349.36 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine is sourced from PubChem (CID 167350850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).