N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

C16H24N2O — CID 105363818

IUPACN-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)Oc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)19-15-5-3-14(4-6-15)17-16-8-10-18-9-7-13(16)11-18/h3-6,12-13,16-17H,7-11H2,1-2H3
InChIKeyDTGYXMIUZJPOGO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.98
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363818) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363818
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)Oc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)19-15-5-3-14(4-6-15)17-16-8-10-18-9-7-13(16)11-18/h3-6,12-13,16-17H,7-11H2,1-2H3
InChIKeyDTGYXMIUZJPOGO-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364289
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758678
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363768
N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363627
N-(4-phenoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 11254890
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43772970

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105363818) is N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is CC(C)Oc1ccc(NC2CCN3CCC2C3)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is DTGYXMIUZJPOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)19-15-5-3-14(4-6-15)17-16-8-10-18-9-7-13(16)11-18/h3-6,12-13,16-17H,7-11H2,1-2H3.
What are the key properties of N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).