(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone

C17H24N2O2 — CID 62921355

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C17H24N2O2/c1-11(2)21-16-5-3-4-12(8-16)17(20)19-14-6-7-15(19)10-13(18)9-14/h3-5,8,11,13-15H,6-7,9-10,18H2,1-2H3
InChIKeyWTBXAYBSEDYYBC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.57
Rot. Bonds3

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 62921355) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID62921355
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2C3CCC2CC(N)C3)c1
InChIInChI=1S/C17H24N2O2/c1-11(2)21-16-5-3-4-12(8-16)17(20)19-14-6-7-15(19)10-13(18)9-14/h3-5,8,11,13-15H,6-7,9-10,18H2,1-2H3
InChIKeyWTBXAYBSEDYYBC-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
(3-methoxyphenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90590806
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62920848
[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 118777000
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide
CID 62920503
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
CID 61235332
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790

Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone (CID 62921355) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)N2C3CCC2CC(N)C3)c1.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is WTBXAYBSEDYYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)21-16-5-3-4-12(8-16)17(20)19-14-6-7-15(19)10-13(18)9-14/h3-5,8,11,13-15H,6-7,9-10,18H2,1-2H3.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 62921355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).