N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2O — CID 60873537

IUPACN-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOc1cccc(CNC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H26N2O/c1-3-20-17-6-4-5-13(9-17)12-18-14-10-15-7-8-16(11-14)19(15)2/h4-6,9,14-16,18H,3,7-8,10-12H2,1-2H3
InChIKeyAUTQDWNUPWFCGV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 60873537) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID60873537
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOc1cccc(CNC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H26N2O/c1-3-20-17-6-4-5-13(9-17)12-18-14-10-15-7-8-16(11-14)19(15)2/h4-6,9,14-16,18H,3,7-8,10-12H2,1-2H3
InChIKeyAUTQDWNUPWFCGV-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834296
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(2-ethoxyphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472919
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 60873537) is N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCOc1cccc(CNC2CC3CCC(C2)N3C)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AUTQDWNUPWFCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-20-17-6-4-5-13(9-17)12-18-14-10-15-7-8-16(11-14)19(15)2/h4-6,9,14-16,18H,3,7-8,10-12H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 60873537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).