N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine

C18H25ClN2 — CID 83067567

IUPACN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NC1CN2CCC1CC2
InChIInChI=1S/C18H25ClN2/c1-18(2)10-13-3-4-14(19)9-15(13)17(18)20-16-11-21-7-5-12(16)6-8-21/h3-4,9,12,16-17,20H,5-8,10-11H2,1-2H3
InChIKeySADNNXKJCWDEHN-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.65
Rot. Bonds2

About N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 83067567) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID83067567
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC NameN-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NC1CN2CCC1CC2
InChIInChI=1S/C18H25ClN2/c1-18(2)10-13-3-4-14(19)9-15(13)17(18)20-16-11-21-7-5-12(16)6-8-21/h3-4,9,12,16-17,20H,5-8,10-11H2,1-2H3
InChIKeySADNNXKJCWDEHN-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-ethylpiperidin-4-amine
CID 83066102
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065362
6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
CID 106023954
6-chloro-N-(dicyclopropylmethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066943
N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065922
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-(3-chlorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamate
CID 175766704
6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 107631566
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol
CID 83066805
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
CID 83067295
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
CID 83067690
4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125007

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 83067567) is N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine is CC1(C)Cc2ccc(Cl)cc2C1NC1CN2CCC1CC2.
What is the InChIKey of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is SADNNXKJCWDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-18(2)10-13-3-4-14(19)9-15(13)17(18)20-16-11-21-7-5-12(16)6-8-21/h3-4,9,12,16-17,20H,5-8,10-11H2,1-2H3.
What are the key properties of N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 304.86 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 83067567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).