N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine

C18H23NS — CID 43488394

IUPACN-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCC2)c1ccc(CC)s1
InChIInChI=1S/C18H23NS/c1-3-16-10-11-17(20-16)18(19-4-2)15-9-8-13-6-5-7-14(13)12-15/h8-12,18-19H,3-7H2,1-2H3
InChIKeyGDVGNXDEAILEKB-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.50
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine

N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488394) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID43488394
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCC2)c1ccc(CC)s1
InChIInChI=1S/C18H23NS/c1-3-16-10-11-17(20-16)18(19-4-2)15-9-8-13-6-5-7-14(13)12-15/h8-12,18-19H,3-7H2,1-2H3
InChIKeyGDVGNXDEAILEKB-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol
CID 61099140
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43496753
N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 82875565
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[(5-methylthiophen-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 43494255

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 43488394) is N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCC2)c1ccc(CC)s1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GDVGNXDEAILEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-16-10-11-17(20-16)18(19-4-2)15-9-8-13-6-5-7-14(13)12-15/h8-12,18-19H,3-7H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).