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

C15H16BrNS — CID 114008920

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1sc(CNC2Cc3ccccc3C2)cc1Br
InChIInChI=1S/C15H16BrNS/c1-10-15(16)8-14(18-10)9-17-13-6-11-4-2-3-5-12(11)7-13/h2-5,8,13,17H,6-7,9H2,1H3
InChIKeyXXGSLPNKONIWSQ-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.08
Rot. Bonds3

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

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 114008920) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID114008920
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1sc(CNC2Cc3ccccc3C2)cc1Br
InChIInChI=1S/C15H16BrNS/c1-10-15(16)8-14(18-10)9-17-13-6-11-4-2-3-5-12(11)7-13/h2-5,8,13,17H,6-7,9H2,1H3
InChIKeyXXGSLPNKONIWSQ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-methylpiperidin-2-one
CID 102836038
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 102836225
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[2-[(dimethylamino)methyl]phenyl]methanamine
CID 102830937
tert-butyl 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107241646
N-[2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclopropanamine
CID 102844899
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 113268596
2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 114122323
5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 114009348
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105401472
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pyrrol-1-amine
CID 102836378
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
CID 102831045

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 114008920) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine is Cc1sc(CNC2Cc3ccccc3C2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XXGSLPNKONIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-10-15(16)8-14(18-10)9-17-13-6-11-4-2-3-5-12(11)7-13/h2-5,8,13,17H,6-7,9H2,1H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 322.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 114008920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).