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

C16H19NS — CID 81156015

IUPAC2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H19NS/c1-10-8-11(2)18-16(10)15(17)14-7-6-12-4-3-5-13(12)9-14/h6-9,15H,3-5,17H2,1-2H3
InChIKeyMWNDIOUSRLKLHM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.90
Rot. Bonds2

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

2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine (PubChem CID 81156015) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine
PubChem CID81156015
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H19NS/c1-10-8-11(2)18-16(10)15(17)14-7-6-12-4-3-5-13(12)9-14/h6-9,15H,3-5,17H2,1-2H3
InChIKeyMWNDIOUSRLKLHM-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(3-methylthiophen-2-yl)methanamine
CID 43464476
2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083
(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
(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
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine (CID 81156015) is 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C)c(C(N)c2ccc3c(c2)CCC3)s1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is MWNDIOUSRLKLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-10-8-11(2)18-16(10)15(17)14-7-6-12-4-3-5-13(12)9-14/h6-9,15H,3-5,17H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine?
2,3-dihydro-1H-inden-5-yl-(3,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 3.90, 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-(3,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 81156015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).