N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine

C16H21F3N2 — CID 117196610

IUPACN-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
SMILESCNCCCc1cc2cccc(C(F)(F)F)c2n1C(C)C
InChIInChI=1S/C16H21F3N2/c1-11(2)21-13(7-5-9-20-3)10-12-6-4-8-14(15(12)21)16(17,18)19/h4,6,8,10-11,20H,5,7,9H2,1-3H3
InChIKeySUOKNIIJZYTASF-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.39
Rot. Bonds5

About N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine

N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine (PubChem CID 117196610) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
PubChem CID117196610
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
SMILESCNCCCc1cc2cccc(C(F)(F)F)c2n1C(C)C
InChIInChI=1S/C16H21F3N2/c1-11(2)21-13(7-5-9-20-3)10-12-6-4-8-14(15(12)21)16(17,18)19/h4,6,8,10-11,20H,5,7,9H2,1-3H3
InChIKeySUOKNIIJZYTASF-UHFFFAOYSA-N
XLogP4.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
CID 117196600
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
CID 117194641
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
CID 117196602
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
1-methyl-2-[2-(methylamino)ethyl]indol-7-ol
CID 117197124
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
CID 117196587
3-[3-(1,1-difluoro-2-methylpropyl)phenyl]-N-methylpropan-1-amine
CID 116992650
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine (CID 117196610) is N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine is CNCCCc1cc2cccc(C(F)(F)F)c2n1C(C)C.
What is the InChIKey of N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
The InChIKey is SUOKNIIJZYTASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-11(2)21-13(7-5-9-20-3)10-12-6-4-8-14(15(12)21)16(17,18)19/h4,6,8,10-11,20H,5,7,9H2,1-3H3.
What are the key properties of N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine has a molecular weight of 298.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine is sourced from PubChem (CID 117196610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).