N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine

C16H24N2O — CID 105364330

IUPACN-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCOc1cccc(CNC2CCN3CCC2C3)c1
InChIInChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-7-9-18-8-6-14(16)12-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3
InChIKeyQLYVWOLVIRTBJU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364330) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364330
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCOc1cccc(CNC2CCN3CCC2C3)c1
InChIInChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-7-9-18-8-6-14(16)12-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3
InChIKeyQLYVWOLVIRTBJU-UHFFFAOYSA-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

(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834296
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-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 60873537
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364324
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364330) is N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine is CCOc1cccc(CNC2CCN3CCC2C3)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is QLYVWOLVIRTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-19-15-5-3-4-13(10-15)11-17-16-7-9-18-8-6-14(16)12-18/h3-5,10,14,16-17H,2,6-9,11-12H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-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 N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).