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

C14H18N2O3 — CID 115413472

IUPAC(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CC3CCC(C2)O3)c(N)c1
InChIInChI=1S/C14H18N2O3/c1-18-9-4-5-12(13(15)6-9)14(17)16-7-10-2-3-11(8-16)19-10/h4-6,10-11H,2-3,7-8,15H2,1H3
InChIKeyFKJQAXOYLMACGL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 115413472) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID115413472
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CC3CCC(C2)O3)c(N)c1
InChIInChI=1S/C14H18N2O3/c1-18-9-4-5-12(13(15)6-9)14(17)16-7-10-2-3-11(8-16)19-10/h4-6,10-11H,2-3,7-8,15H2,1H3
InChIKeyFKJQAXOYLMACGL-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

(2-amino-4,5-dimethoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66392049
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 115413472) is (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is COc1ccc(C(=O)N2CC3CCC(C2)O3)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is FKJQAXOYLMACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-9-4-5-12(13(15)6-9)14(17)16-7-10-2-3-11(8-16)19-10/h4-6,10-11H,2-3,7-8,15H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-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 (2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 115413472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).