N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C15H16ClNS — CID 78948024

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccc(Cl)s1)CC2
InChIInChI=1S/C15H16ClNS/c1-10-2-3-11-4-6-14(13(11)8-10)17-9-12-5-7-15(16)18-12/h2-3,5,7-8,14,17H,4,6,9H2,1H3
InChIKeyAUKIFSQGJJLULH-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.49
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 78948024) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID78948024
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccc(Cl)s1)CC2
InChIInChI=1S/C15H16ClNS/c1-10-2-3-11-4-6-14(13(11)8-10)17-9-12-5-7-15(16)18-12/h2-3,5,7-8,14,17H,4,6,9H2,1H3
InChIKeyAUKIFSQGJJLULH-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 78948024) is N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1ccc(Cl)s1)CC2.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AUKIFSQGJJLULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-10-2-3-11-4-6-14(13(11)8-10)17-9-12-5-7-15(16)18-12/h2-3,5,7-8,14,17H,4,6,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.82 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78948024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).