6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine

C14H20BrNS — CID 114265413

IUPAC6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC(C)(C)CNC1CCc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNS/c1-14(2,17-3)9-16-13-7-5-10-4-6-11(15)8-12(10)13/h4,6,8,13,16H,5,7,9H2,1-3H3
InChIKeyAPLXIICKRSTVEE-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.17
Rot. Bonds4

About 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine

6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114265413) has the molecular formula C14H20BrNS and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114265413
Molecular FormulaC14H20BrNS
Molecular Weight314.29 g/mol
Exact Mass313.05
IUPAC Name6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC(C)(C)CNC1CCc2ccc(Br)cc21
InChIInChI=1S/C14H20BrNS/c1-14(2,17-3)9-16-13-7-5-10-4-6-11(15)8-12(10)13/h4,6,8,13,16H,5,7,9H2,1-3H3
InChIKeyAPLXIICKRSTVEE-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 114099494
(2R)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322714
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
3-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-hydroxypropanamide
CID 114265433
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66827063
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265381
6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383373
4-[(6-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexan-1-ol
CID 114265418
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
CID 79366778
6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79551905
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 114265413) is 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine is CSC(C)(C)CNC1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is APLXIICKRSTVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNS/c1-14(2,17-3)9-16-13-7-5-10-4-6-11(15)8-12(10)13/h4,6,8,13,16H,5,7,9H2,1-3H3.
What are the key properties of 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine?
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 314.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114265413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).