1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine

C16H20N2S — CID 62204273

IUPAC1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H20N2S/c1-2-15(17)16(14-7-8-19-11-14)18-9-12-5-3-4-6-13(12)10-18/h3-8,11,15-16H,2,9-10,17H2,1H3
InChIKeyQCLZYUCXCGUGQN-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.54
Rot. Bonds4

About 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine

1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine (PubChem CID 62204273) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine
PubChem CID62204273
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H20N2S/c1-2-15(17)16(14-7-8-19-11-14)18-9-12-5-3-4-6-13(12)10-18/h3-8,11,15-16H,2,9-10,17H2,1H3
InChIKeyQCLZYUCXCGUGQN-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 114462399
1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
CID 63973621
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55243566
1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 103494115
[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777782
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine
CID 79919730
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852
1-(1,3-dihydroisoindol-2-yl)propan-1-ol
CID 145041620
1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
CID 62116806

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine (CID 62204273) is 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(c1ccsc1)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is QCLZYUCXCGUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-15(17)16(14-7-8-19-11-14)18-9-12-5-3-4-6-13(12)10-18/h3-8,11,15-16H,2,9-10,17H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine?
1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 272.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 62204273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).