N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine

C16H21F3N2 — CID 117195466

IUPACN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine
SMILESCNC(C)Cc1cn(C(C)C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H21F3N2/c1-10(2)21-9-12(7-11(3)20-4)14-8-13(16(17,18)19)5-6-15(14)21/h5-6,8-11,20H,7H2,1-4H3
InChIKeyCKHBXCBYRQEVRW-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.39
Rot. Bonds4

About N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine

N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine (PubChem CID 117195466) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine
PubChem CID117195466
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine
SMILESCNC(C)Cc1cn(C(C)C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H21F3N2/c1-10(2)21-9-12(7-11(3)20-4)14-8-13(16(17,18)19)5-6-15(14)21/h5-6,8-11,20H,7H2,1-4H3
InChIKeyCKHBXCBYRQEVRW-UHFFFAOYSA-N
XLogP4.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine (CID 117195466) is N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine is CNC(C)Cc1cn(C(C)C)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine?
The InChIKey is CKHBXCBYRQEVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-10(2)21-9-12(7-11(3)20-4)14-8-13(16(17,18)19)5-6-15(14)21/h5-6,8-11,20H,7H2,1-4H3.
What are the key properties of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine?
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine has a molecular weight of 298.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine is sourced from PubChem (CID 117195466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).