5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H18ClNS — CID 81328984

IUPAC5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(C)NC2CCc3cc(Cl)ccc32)s1
InChIInChI=1S/C16H18ClNS/c1-10-3-8-16(19-10)11(2)18-15-7-4-12-9-13(17)5-6-14(12)15/h3,5-6,8-9,11,15,18H,4,7H2,1-2H3
InChIKeyBGFSBKVDPGZQOE-UHFFFAOYSA-N
MW291.85 g/mol
LogP5.05
Rot. Bonds3

About 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81328984) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81328984
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(C)NC2CCc3cc(Cl)ccc32)s1
InChIInChI=1S/C16H18ClNS/c1-10-3-8-16(19-10)11(2)18-15-7-4-12-9-13(17)5-6-14(12)15/h3,5-6,8-9,11,15,18H,4,7H2,1-2H3
InChIKeyBGFSBKVDPGZQOE-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81328984) is 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(C(C)NC2CCc3cc(Cl)ccc32)s1.
What is the InChIKey of 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BGFSBKVDPGZQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-10-3-8-16(19-10)11(2)18-15-7-4-12-9-13(17)5-6-14(12)15/h3,5-6,8-9,11,15,18H,4,7H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 291.85 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81328984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).