(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

C11H14BrN — CID 167334523

IUPAC(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)[C@H]1CCc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN/c1-13(2)11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11H,3,6H2,1-2H3/t11-/m0/s1
InChIKeyDSLBGMQJACDNKW-NSHDSACASA-N
MW240.14 g/mol
LogP3.00
Rot. Bonds1

About (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 167334523) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID167334523
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)[C@H]1CCc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN/c1-13(2)11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11H,3,6H2,1-2H3/t11-/m0/s1
InChIKeyDSLBGMQJACDNKW-NSHDSACASA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349548
5-bromo-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 171524885
1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741538
5-bromo-1-deuterio-2,3-dihydroinden-1-amine
CID 172734129
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106624406
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106598980
6-bromo-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 174249169
4-bromo-2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82977314
(3S)-7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 125424444

Frequently Asked Questions

What is the IUPAC name of (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 167334523) is (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is CN(C)[C@H]1CCc2cc(Br)ccc21.
What is the InChIKey of (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DSLBGMQJACDNKW-NSHDSACASA-N. The full InChI is InChI=1S/C11H14BrN/c1-13(2)11-6-3-8-7-9(12)4-5-10(8)11/h4-5,7,11H,3,6H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 167334523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).