1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine

C15H16ClNS — CID 115865039

IUPAC1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNC(Cc1ccc2c(c1)CCC2)c1sccc1Cl
InChIInChI=1S/C15H16ClNS/c16-13-6-7-18-15(13)14(17)9-10-4-5-11-2-1-3-12(11)8-10/h4-8,14H,1-3,9,17H2
InChIKeyJYBMBFZVTFLVKI-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.13
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine

1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine (PubChem CID 115865039) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
PubChem CID115865039
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESNC(Cc1ccc2c(c1)CCC2)c1sccc1Cl
InChIInChI=1S/C15H16ClNS/c16-13-6-7-18-15(13)14(17)9-10-4-5-11-2-1-3-12(11)8-10/h4-8,14H,1-3,9,17H2
InChIKeyJYBMBFZVTFLVKI-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
2-(2,3-dihydro-1H-inden-5-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81153890
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105152360
1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115864884
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
1-(2,3-dihydro-1H-inden-5-yl)-2-thiophen-3-ylethanamine
CID 61078821
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105055486
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine (CID 115865039) is 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine is NC(Cc1ccc2c(c1)CCC2)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
The InChIKey is JYBMBFZVTFLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c16-13-6-7-18-15(13)14(17)9-10-4-5-11-2-1-3-12(11)8-10/h4-8,14H,1-3,9,17H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine has a molecular weight of 277.82 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine is sourced from PubChem (CID 115865039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).