[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine

C16H14F3N3 — CID 115114017

IUPAC[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine
SMILESCn1c(-c2cc(CN)ccn2)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C16H14F3N3/c1-22-14-4-2-3-12(16(17,18)19)11(14)8-15(22)13-7-10(9-20)5-6-21-13/h2-8H,9,20H2,1H3
InChIKeyDFLAPIICQASFMK-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.72
Rot. Bonds2

About [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine

[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine (PubChem CID 115114017) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine
PubChem CID115114017
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine
SMILESCn1c(-c2cc(CN)ccn2)cc2c(C(F)(F)F)cccc21
InChIInChI=1S/C16H14F3N3/c1-22-14-4-2-3-12(16(17,18)19)11(14)8-15(22)13-7-10(9-20)5-6-21-13/h2-8H,9,20H2,1H3
InChIKeyDFLAPIICQASFMK-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114062
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
[2-(4-fluoro-1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114192
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
ethyl 2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-2-oxoacetate
CID 115072489
2-amino-2-[1-methyl-4-(trifluoromethyl)indol-2-yl]acetic acid
CID 115071811
[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365578
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365586
2,2,2-trifluoroacetaldehyde;[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 160804055
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117194282
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307

Frequently Asked Questions

What is the IUPAC name of [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine (CID 115114017) is [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine is Cn1c(-c2cc(CN)ccn2)cc2c(C(F)(F)F)cccc21.
What is the InChIKey of [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine?
The InChIKey is DFLAPIICQASFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-22-14-4-2-3-12(16(17,18)19)11(14)8-15(22)13-7-10(9-20)5-6-21-13/h2-8H,9,20H2,1H3.
What are the key properties of [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine?
[2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine has a molecular weight of 305.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-4-pyridinyl]methanamine is sourced from PubChem (CID 115114017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).