ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole

C21H30N2 — CID 156752898

IUPACethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole
SMILESCC.CN.Cc1ccc(C2=Nc3cc(C(C)C)ccc3C2)cc1
InChIInChI=1S/C18H19N.C2H6.CH5N/c1-12(2)15-8-9-16-11-17(19-18(16)10-15)14-6-4-13(3)5-7-14;2*1-2/h4-10,12H,11H2,1-3H3;1-2H3;2H2,1H3
InChIKeyRYYZSJPDIIZXNP-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.40
Rot. Bonds2

About ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole

ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole (PubChem CID 156752898) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole.

Molecular Properties

Compound Nameethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole
PubChem CID156752898
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Nameethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole
SMILESCC.CN.Cc1ccc(C2=Nc3cc(C(C)C)ccc3C2)cc1
InChIInChI=1S/C18H19N.C2H6.CH5N/c1-12(2)15-8-9-16-11-17(19-18(16)10-15)14-6-4-13(3)5-7-14;2*1-2/h4-10,12H,11H2,1-3H3;1-2H3;2H2,1H3
InChIKeyRYYZSJPDIIZXNP-UHFFFAOYSA-N
XLogP5.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-3H-indole-6-carbonitrile
CID 67596128
N,6-di(propan-2-yl)-3H-indole-2-carboxamide
CID 158958831
2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
CID 166805679
benzene;ethane;2-phenyl-3H-indole
CID 91573421
6-tert-butyl-2-phenyl-3H-indole
CID 118318358
2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole
CID 177061562
3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide
CID 153469815
7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde
CID 163949340
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
CID 59364977
2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide
CID 162111228
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole?
The IUPAC name of ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole (CID 156752898) is ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole.
What is the SMILES notation for ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole?
The canonical SMILES for ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole is CC.CN.Cc1ccc(C2=Nc3cc(C(C)C)ccc3C2)cc1.
What is the InChIKey of ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole?
The InChIKey is RYYZSJPDIIZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C2H6.CH5N/c1-12(2)15-8-9-16-11-17(19-18(16)10-15)14-6-4-13(3)5-7-14;2*1-2/h4-10,12H,11H2,1-3H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole?
ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole has a molecular weight of 310.49 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole is sourced from PubChem (CID 156752898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).