ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine

C20H29F3N2 — CID 156712354

IUPACethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCC.Cc1cc2c(NC3CCC(C)CC3)cccc2n1CC(F)(F)F
InChIInChI=1S/C18H23F3N2.C2H6/c1-12-6-8-14(9-7-12)22-16-4-3-5-17-15(16)10-13(2)23(17)11-18(19,20)21;1-2/h3-5,10,12,14,22H,6-9,11H2,1-2H3;1-2H3
InChIKeyFEBYNHDBCHSWHD-UHFFFAOYSA-N
MW354.46 g/mol
LogP6.53
Rot. Bonds3

About ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine

ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 156712354) has the molecular formula C20H29F3N2 and a molecular weight of 354.46 g/mol. Its IUPAC name is ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID156712354
Molecular FormulaC20H29F3N2
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC Nameethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCC.Cc1cc2c(NC3CCC(C)CC3)cccc2n1CC(F)(F)F
InChIInChI=1S/C18H23F3N2.C2H6/c1-12-6-8-14(9-7-12)22-16-4-3-5-17-15(16)10-13(2)23(17)11-18(19,20)21;1-2/h3-5,10,12,14,22H,6-9,11H2,1-2H3;1-2H3
InChIKeyFEBYNHDBCHSWHD-UHFFFAOYSA-N
XLogP6.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 157047391
acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712157
2-methyl-N-[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712168
N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712264
sodium 4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indole-2-carboxylate
CID 157047591
2-[3-(methylamino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 130361852
N-(1,1-dioxothian-4-yl)-2-(2-fluoro-4-methylphenyl)-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 157048389
[4-[4-[(1,1-dioxothian-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]phenyl]methylcarbamic acid
CID 175992945
1-[4-[[1-(2-fluoroethyl)-2-methylindol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol
CID 156712466
2-[3-(4-methoxyanilino)prop-1-ynyl]-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 130337919
4-N,4-N-dimethyl-1-N-[2-[3-[[6-(2-methylbut-3-yn-2-yl)-3-pyridinyl]amino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]cyclohexane-1,4-diamine
CID 162606187
2-[4-[3-[4-(cyclohexylamino)-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxyphenyl]-2-methylpropanenitrile;ethane
CID 156712993

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 156712354) is ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine is CC.Cc1cc2c(NC3CCC(C)CC3)cccc2n1CC(F)(F)F.
What is the InChIKey of ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is FEBYNHDBCHSWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2.C2H6/c1-12-6-8-14(9-7-12)22-16-4-3-5-17-15(16)10-13(2)23(17)11-18(19,20)21;1-2/h3-5,10,12,14,22H,6-9,11H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 354.46 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 156712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).