(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C16H24N2O — CID 834296

IUPAC(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1cccc(CN[C@H]2CN3CCC2CC3)c1
InChIInChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-12-18-8-6-14(16)7-9-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3/t16-/m0/s1
InChIKeyUIZXHBCDPLBGLS-INIZCTEOSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds5

About (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 834296) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID834296
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1cccc(CN[C@H]2CN3CCC2CC3)c1
InChIInChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-12-18-8-6-14(16)7-9-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3/t16-/m0/s1
InChIKeyUIZXHBCDPLBGLS-INIZCTEOSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159388
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158898
N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545
N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 60873537
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17159343
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158901
3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
CID 62092858

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 834296) is (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is CCOc1cccc(CN[C@H]2CN3CCC2CC3)c1.
What is the InChIKey of (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is UIZXHBCDPLBGLS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-12-18-8-6-14(16)7-9-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 834296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).