N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine

C19H24N2S — CID 46884736

IUPACN,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
SMILESCc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1
InChIInChI=1S/C19H24N2S/c1-13-5-6-17-16(11-13)12-15(7-9-21(3)4)18(17)14(2)19-20-8-10-22-19/h5-6,8,10-11,14H,7,9,12H2,1-4H3/t14-/m1/s1
InChIKeyPKONXOYDGGORHO-CQSZACIVSA-N
MW312.48 g/mol
LogP4.52
Rot. Bonds5

About N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine

N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine (PubChem CID 46884736) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
PubChem CID46884736
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC NameN,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine
SMILESCc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1
InChIInChI=1S/C19H24N2S/c1-13-5-6-17-16(11-13)12-15(7-9-21(3)4)18(17)14(2)19-20-8-10-22-19/h5-6,8,10-11,14H,7,9,12H2,1-4H3/t14-/m1/s1
InChIKeyPKONXOYDGGORHO-CQSZACIVSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine (CID 46884736) is N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine is Cc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1.
What is the InChIKey of N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
The InChIKey is PKONXOYDGGORHO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13-5-6-17-16(11-13)12-15(7-9-21(3)4)18(17)14(2)19-20-8-10-22-19/h5-6,8,10-11,14H,7,9,12H2,1-4H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine has a molecular weight of 312.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-methyl-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 46884736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).