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

C19H25NS — CID 106892715

IUPACN-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)s1)C1Cc2ccccc2C1
InChIInChI=1S/C19H25NS/c1-3-11-20-19(18-10-9-17(4-2)21-18)16-12-14-7-5-6-8-15(14)13-16/h5-10,16,19-20H,3-4,11-13H2,1-2H3
InChIKeyHVKFGXJHNCVJRZ-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.77
Rot. Bonds6

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

N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 106892715) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID106892715
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)s1)C1Cc2ccccc2C1
InChIInChI=1S/C19H25NS/c1-3-11-20-19(18-10-9-17(4-2)21-18)16-12-14-7-5-6-8-15(14)13-16/h5-10,16,19-20H,3-4,11-13H2,1-2H3
InChIKeyHVKFGXJHNCVJRZ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105003465
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694894
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[(5-ethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052858
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine (CID 106892715) is N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)s1)C1Cc2ccccc2C1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is HVKFGXJHNCVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-11-20-19(18-10-9-17(4-2)21-18)16-12-14-7-5-6-8-15(14)13-16/h5-10,16,19-20H,3-4,11-13H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1H-inden-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 4.77, 6 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-2-yl-(5-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106892715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).