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

C16H21F3N2 — CID 156836225

IUPACN-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H21F3N2/c1-3-8-21(4-2)9-7-12-11-20-15-6-5-13(10-14(12)15)16(17,18)19/h5-6,10-11,20H,3-4,7-9H2,1-2H3
InChIKeyJEVNCLKABCCAHS-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.46
Rot. Bonds6

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

N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine (PubChem CID 156836225) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
PubChem CID156836225
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H21F3N2/c1-3-8-21(4-2)9-7-12-11-20-15-6-5-13(10-14(12)15)16(17,18)19/h5-6,10-11,20H,3-4,7-9H2,1-2H3
InChIKeyJEVNCLKABCCAHS-UHFFFAOYSA-N
XLogP4.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
CID 10691904
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 46081785
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 168946991
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104
N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 166157959
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine (CID 156836225) is N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine is CCCN(CC)CCc1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The InChIKey is JEVNCLKABCCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-3-8-21(4-2)9-7-12-11-20-15-6-5-13(10-14(12)15)16(17,18)19/h5-6,10-11,20H,3-4,7-9H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine?
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine has a molecular weight of 298.35 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 156836225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).