4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

C15H16ClNOS — CID 63091721

IUPAC4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCc3ccc(Cl)s3)cccc21
InChIInChI=1S/C15H16ClNOS/c1-17-13-7-6-12-11(13)3-2-4-14(12)18-9-10-5-8-15(16)19-10/h2-5,8,13,17H,6-7,9H2,1H3
InChIKeyNQTAHGYGSAGEJT-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.19
Rot. Bonds4

About 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63091721) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63091721
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCc3ccc(Cl)s3)cccc21
InChIInChI=1S/C15H16ClNOS/c1-17-13-7-6-12-11(13)3-2-4-14(12)18-9-10-5-8-15(16)19-10/h2-5,8,13,17H,6-7,9H2,1H3
InChIKeyNQTAHGYGSAGEJT-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63091001
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
CID 114471642
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456675
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 63091721) is 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(OCc3ccc(Cl)s3)cccc21.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NQTAHGYGSAGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-17-13-7-6-12-11(13)3-2-4-14(12)18-9-10-5-8-15(16)19-10/h2-5,8,13,17H,6-7,9H2,1H3.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63091721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).