N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine

C14H19F3N2 — CID 117202787

IUPACN-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
SMILESCNCC1Cc2ccc(C(F)(F)F)cc2N1C(C)C
InChIInChI=1S/C14H19F3N2/c1-9(2)19-12(8-18-3)6-10-4-5-11(7-13(10)19)14(15,16)17/h4-5,7,9,12,18H,6,8H2,1-3H3
InChIKeyMKOMDHFMBVAQJO-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine

N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine (PubChem CID 117202787) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
PubChem CID117202787
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
SMILESCNCC1Cc2ccc(C(F)(F)F)cc2N1C(C)C
InChIInChI=1S/C14H19F3N2/c1-9(2)19-12(8-18-3)6-10-4-5-11(7-13(10)19)14(15,16)17/h4-5,7,9,12,18H,6,8H2,1-3H3
InChIKeyMKOMDHFMBVAQJO-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 105468357
2-(2-methyl-1-propan-2-yl-2,3-dihydroindol-6-yl)propan-2-ol
CID 117203549
N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
O-[[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methyl]hydroxylamine
CID 117202728
2-methyl-2-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200716
2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
CID 117200697
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride
CID 142799251
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115316994
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
3-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200717

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine (CID 117202787) is N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine is CNCC1Cc2ccc(C(F)(F)F)cc2N1C(C)C.
What is the InChIKey of N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine?
The InChIKey is MKOMDHFMBVAQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9(2)19-12(8-18-3)6-10-4-5-11(7-13(10)19)14(15,16)17/h4-5,7,9,12,18H,6,8H2,1-3H3.
What are the key properties of N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine?
N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 3.06, 3 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-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine is sourced from PubChem (CID 117202787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).