2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine

C15H17NS — CID 43464476

IUPAC2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NS/c1-10-7-8-17-15(10)14(16)13-6-5-11-3-2-4-12(11)9-13/h5-9,14H,2-4,16H2,1H3
InChIKeyNCNVIXVELUROMQ-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.59
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine

2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine (PubChem CID 43464476) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine
PubChem CID43464476
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NS/c1-10-7-8-17-15(10)14(16)13-6-5-11-3-2-4-12(11)9-13/h5-9,14H,2-4,16H2,1H3
InChIKeyNCNVIXVELUROMQ-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156015
2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 78971653
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
3-[amino-(3-methylthiophen-2-yl)methyl]aniline
CID 116936643
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine (CID 43464476) is 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine?
The InChIKey is NCNVIXVELUROMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-10-7-8-17-15(10)14(16)13-6-5-11-3-2-4-12(11)9-13/h5-9,14H,2-4,16H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine?
2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine has a molecular weight of 243.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43464476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).