N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

C15H21ClN2O — CID 105364394

IUPACN-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCOc1ccc(Cl)cc1NC1CCN2CCC1C2
InChIInChI=1S/C15H21ClN2O/c1-2-19-15-4-3-12(16)9-14(15)17-13-6-8-18-7-5-11(13)10-18/h3-4,9,11,13,17H,2,5-8,10H2,1H3
InChIKeyAVOBSJARBBHBBE-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.24
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364394) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364394
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCOc1ccc(Cl)cc1NC1CCN2CCC1C2
InChIInChI=1S/C15H21ClN2O/c1-2-19-15-4-3-12(16)9-14(15)17-13-6-8-18-7-5-11(13)10-18/h3-4,9,11,13,17H,2,5-8,10H2,1H3
InChIKeyAVOBSJARBBHBBE-UHFFFAOYSA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105364252
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363627
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43690803
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
5-chloro-2-ethoxy-N-(2-methylsulfonylcyclopentyl)aniline
CID 65046198
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
CID 64853292
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363940
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364394) is N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is CCOc1ccc(Cl)cc1NC1CCN2CCC1C2.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is AVOBSJARBBHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-19-15-4-3-12(16)9-14(15)17-13-6-8-18-7-5-11(13)10-18/h3-4,9,11,13,17H,2,5-8,10H2,1H3.
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 280.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).