N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

C15H22N2O2 — CID 105363627

IUPACN-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccc(OC)c(NC2CCN3CCC2C3)c1
InChIInChI=1S/C15H22N2O2/c1-18-12-3-4-15(19-2)14(9-12)16-13-6-8-17-7-5-11(13)10-17/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyVBLICQSZVKINDG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.21
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363627) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363627
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccc(OC)c(NC2CCN3CCC2C3)c1
InChIInChI=1S/C15H22N2O2/c1-18-12-3-4-15(19-2)14(9-12)16-13-6-8-17-7-5-11(13)10-17/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyVBLICQSZVKINDG-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
N-(4-methoxy-2-nitrophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43081409
N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
CID 3330886
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364385
3-(2,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octane;oxalic acid
CID 19802571
N-(3,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121578
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
4-(1-azabicyclo[2.2.2]octan-3-yloxy)-2-methoxy-N-methylaniline
CID 130370318
N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364448

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105363627) is N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is COc1ccc(OC)c(NC2CCN3CCC2C3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is VBLICQSZVKINDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-12-3-4-15(19-2)14(9-12)16-13-6-8-17-7-5-11(13)10-17/h3-4,9,11,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 262.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).