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

C13H17F3N2 — CID 117201677

IUPACN-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
SMILESCNC(C)CC1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H17F3N2/c1-8(17-2)5-9-7-18-12-4-3-10(6-11(9)12)13(14,15)16/h3-4,6,8-9,17-18H,5,7H2,1-2H3
InChIKeyLXCHAQPEXQPGFD-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.21
Rot. Bonds3

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

N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine (PubChem CID 117201677) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
PubChem CID117201677
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
SMILESCNC(C)CC1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H17F3N2/c1-8(17-2)5-9-7-18-12-4-3-10(6-11(9)12)13(14,15)16/h3-4,6,8-9,17-18H,5,7H2,1-2H3
InChIKeyLXCHAQPEXQPGFD-UHFFFAOYSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
CID 22735329
3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106985958
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
2-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]ethanamine
CID 82622397
benzene;2-methyl-4-[4-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]butan-1-amine
CID 143454290
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine (CID 117201677) is N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine is CNC(C)CC1CNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine?
The InChIKey is LXCHAQPEXQPGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-8(17-2)5-9-7-18-12-4-3-10(6-11(9)12)13(14,15)16/h3-4,6,8-9,17-18H,5,7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine?
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine has a molecular weight of 258.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine is sourced from PubChem (CID 117201677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).