6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine

C16H19NOS — CID 81398619

IUPAC6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1cccs1)CC2
InChIInChI=1S/C16H19NOS/c1-11(16-4-3-9-19-16)17-15-8-6-12-5-7-13(18-2)10-14(12)15/h3-5,7,9-11,15,17H,6,8H2,1-2H3/t11-,15?/m0/s1
InChIKeyZOIXMCHDNIWFBQ-VPHXOMNUSA-N
MW273.40 g/mol
LogP4.09
Rot. Bonds4

About 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81398619) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81398619
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1cccs1)CC2
InChIInChI=1S/C16H19NOS/c1-11(16-4-3-9-19-16)17-15-8-6-12-5-7-13(18-2)10-14(12)15/h3-5,7,9-11,15,17H,6,8H2,1-2H3/t11-,15?/m0/s1
InChIKeyZOIXMCHDNIWFBQ-VPHXOMNUSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367328
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
N-[1-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230486
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine (CID 81398619) is 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N[C@@H](C)c1cccs1)CC2.
What is the InChIKey of 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZOIXMCHDNIWFBQ-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11(16-4-3-9-19-16)17-15-8-6-12-5-7-13(18-2)10-14(12)15/h3-5,7,9-11,15,17H,6,8H2,1-2H3/t11-,15?/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81398619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).