[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine

C16H13F3N2 — CID 163577022

IUPAC[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine
SMILESNCc1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)11-6-7-13-12(8-11)15(14(9-20)21-13)10-4-2-1-3-5-10/h1-8,21H,9,20H2
InChIKeyGEJFUIMECDYNCS-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.31
Rot. Bonds2

About [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine

[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine (PubChem CID 163577022) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine
PubChem CID163577022
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine
SMILESNCc1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)11-6-7-13-12(8-11)15(14(9-20)21-13)10-4-2-1-3-5-10/h1-8,21H,9,20H2
InChIKeyGEJFUIMECDYNCS-UHFFFAOYSA-N
XLogP4.31
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine?
The IUPAC name of [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine (CID 163577022) is [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine.
What is the SMILES notation for [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine?
The canonical SMILES for [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine is NCc1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1.
What is the InChIKey of [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine?
The InChIKey is GEJFUIMECDYNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c17-16(18,19)11-6-7-13-12(8-11)15(14(9-20)21-13)10-4-2-1-3-5-10/h1-8,21H,9,20H2.
What are the key properties of [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine?
[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine has a molecular weight of 290.29 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine is sourced from PubChem (CID 163577022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).