8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H18Cl2N2 — CID 61232920

IUPAC8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2/c15-13-3-1-2-9(14(13)16)8-18-11-4-5-12(18)7-10(17)6-11/h1-3,10-12H,4-8,17H2
InChIKeyLPMHMZQNDNYPKH-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.45
Rot. Bonds2

About 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232920) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232920
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2/c15-13-3-1-2-9(14(13)16)8-18-11-4-5-12(18)7-10(17)6-11/h1-3,10-12H,4-8,17H2
InChIKeyLPMHMZQNDNYPKH-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61232920) is 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1cccc(Cl)c1Cl.
What is the InChIKey of 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LPMHMZQNDNYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c15-13-3-1-2-9(14(13)16)8-18-11-4-5-12(18)7-10(17)6-11/h1-3,10-12H,4-8,17H2.
What are the key properties of 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 285.22 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).