8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H19ClN2O — CID 62740546

IUPAC8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(Cl)c(N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C14H19ClN2O/c1-18-12-4-5-13(15)14(8-12)17-10-2-3-11(17)7-9(16)6-10/h4-5,8-11H,2-3,6-7,16H2,1H3
InChIKeyAQLXBLDLUCNCMC-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.81
Rot. Bonds2

About 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740546) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740546
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(Cl)c(N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C14H19ClN2O/c1-18-12-4-5-13(15)14(8-12)17-10-2-3-11(17)7-9(16)6-10/h4-5,8-11H,2-3,6-7,16H2,1H3
InChIKeyAQLXBLDLUCNCMC-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738406
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740684
8-(4-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739477
8-(5-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55105946
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105472853
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
8-(2,4-dibromo-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103416867
8-(4-chloro-3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740562
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740546) is 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc(Cl)c(N2C3CCC2CC(N)C3)c1.
What is the InChIKey of 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AQLXBLDLUCNCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-18-12-4-5-13(15)14(8-12)17-10-2-3-11(17)7-9(16)6-10/h4-5,8-11H,2-3,6-7,16H2,1H3.
What are the key properties of 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 266.77 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).