9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C14H18Cl2N2 — CID 62713967

IUPAC9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2/c15-9-4-5-13(16)14(6-9)18-11-2-1-3-12(18)8-10(17)7-11/h4-6,10-12H,1-3,7-8,17H2
InChIKeyJJFCTCRBIAPIDX-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.84
Rot. Bonds1

About 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713967) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713967
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2/c15-9-4-5-13(16)14(6-9)18-11-2-1-3-12(18)8-10(17)7-11/h4-6,10-12H,1-3,7-8,17H2
InChIKeyJJFCTCRBIAPIDX-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739477
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740546
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55119473
8-(4-chloro-3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740562
9-(4-chloro-2-fluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712334
9-[2-(dimethylamino)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 106760805
9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498616
8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740684
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541
9-[2-chloro-6-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712557

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713967) is 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2c1cc(Cl)ccc1Cl.
What is the InChIKey of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is JJFCTCRBIAPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c15-9-4-5-13(16)14(6-9)18-11-2-1-3-12(18)8-10(17)7-11/h4-6,10-12H,1-3,7-8,17H2.
What are the key properties of 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 285.22 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).