2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine

C13H18ClN — CID 105481539

IUPAC2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1CCc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN/c1-13(2,15-3)12-7-5-9-4-6-10(14)8-11(9)12/h4,6,8,12,15H,5,7H2,1-3H3
InChIKeyMUBZAEANHVOBDB-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.37
Rot. Bonds2

About 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine

2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine (PubChem CID 105481539) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
PubChem CID105481539
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1CCc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN/c1-13(2,15-3)12-7-5-9-4-6-10(14)8-11(9)12/h4,6,8,12,15H,5,7H2,1-3H3
InChIKeyMUBZAEANHVOBDB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-(6-methyl-2,3-dihydro-1H-inden-1-yl)propan-2-amine
CID 105455820
7-chloro-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83835169
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
CID 71027763
6-chloro-N-(3-methylcyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115892348
6-chloro-1-fluoro-2,3-dihydro-1H-indene
CID 84717388
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604
6-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 115867576
[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151448831
2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105460924
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105460921

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine (CID 105481539) is 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine is CNC(C)(C)C1CCc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
The InChIKey is MUBZAEANHVOBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(2,15-3)12-7-5-9-4-6-10(14)8-11(9)12/h4,6,8,12,15H,5,7H2,1-3H3.
What are the key properties of 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105481539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).