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

C17H21NS — CID 104694894

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCc1ccc(C(C)NC2Cc3ccccc3C2)s1
InChIInChI=1S/C17H21NS/c1-3-16-8-9-17(19-16)12(2)18-15-10-13-6-4-5-7-14(13)11-15/h4-9,12,15,18H,3,10-11H2,1-2H3
InChIKeyVTIXJNORTDQGKF-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.13
Rot. Bonds4

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

N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 104694894) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID104694894
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCc1ccc(C(C)NC2Cc3ccccc3C2)s1
InChIInChI=1S/C17H21NS/c1-3-16-8-9-17(19-16)12(2)18-15-10-13-6-4-5-7-14(13)11-15/h4-9,12,15,18H,3,10-11H2,1-2H3
InChIKeyVTIXJNORTDQGKF-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 54979176
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106892715
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82725149
cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 61335545
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262274
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694884
2,3-dihydro-1-benzofuran-2-yl-(5-ethylthiophen-2-yl)methanol
CID 61101558
N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 104694894) is N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is CCc1ccc(C(C)NC2Cc3ccccc3C2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VTIXJNORTDQGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-16-8-9-17(19-16)12(2)18-15-10-13-6-4-5-7-14(13)11-15/h4-9,12,15,18H,3,10-11H2,1-2H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104694894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).