N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine

C17H26N2O — CID 105364370

IUPACN-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)COc1cccc(NC2CCN3CCC2C3)c1
InChIInChI=1S/C17H26N2O/c1-13(2)12-20-16-5-3-4-15(10-16)18-17-7-9-19-8-6-14(17)11-19/h3-5,10,13-14,17-18H,6-9,11-12H2,1-2H3
InChIKeyUPDVHUXQVYLJAH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364370) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364370
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)COc1cccc(NC2CCN3CCC2C3)c1
InChIInChI=1S/C17H26N2O/c1-13(2)12-20-16-5-3-4-15(10-16)18-17-7-9-19-8-6-14(17)11-19/h3-5,10,13-14,17-18H,6-9,11-12H2,1-2H3
InChIKeyUPDVHUXQVYLJAH-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
CID 105364030
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
CID 82727034
N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
CID 64623365
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
CID 106594336
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364802
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364370) is N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine is CC(C)COc1cccc(NC2CCN3CCC2C3)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is UPDVHUXQVYLJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)12-20-16-5-3-4-15(10-16)18-17-7-9-19-8-6-14(17)11-19/h3-5,10,13-14,17-18H,6-9,11-12H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).