(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C14H18N2O3 — CID 66393989

IUPAC(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CC3CCC(C2)O3)cc1N
InChIInChI=1S/C14H18N2O3/c1-18-13-5-2-9(6-12(13)15)14(17)16-7-10-3-4-11(8-16)19-10/h2,5-6,10-11H,3-4,7-8,15H2,1H3
InChIKeyLGCCDNHCUQXMGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds2

About (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66393989) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66393989
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CC3CCC(C2)O3)cc1N
InChIInChI=1S/C14H18N2O3/c1-18-13-5-2-9(6-12(13)15)14(17)16-7-10-3-4-11(8-16)19-10/h2,5-6,10-11H,3-4,7-8,15H2,1H3
InChIKeyLGCCDNHCUQXMGH-UHFFFAOYSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66392049
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
2-(3-amino-4-methoxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855959
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
(3-amino-4-methoxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407320

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66393989) is (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is COc1ccc(C(=O)N2CC3CCC(C2)O3)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is LGCCDNHCUQXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-13-5-2-9(6-12(13)15)14(17)16-7-10-3-4-11(8-16)19-10/h2,5-6,10-11H,3-4,7-8,15H2,1H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66393989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).