(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride

C16H23ClN2O2 — CID 120638264

IUPAC(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCC2(CCOCC2)C1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-12-2-3-13(17)10-14(12)15(19)18-7-4-16(11-18)5-8-20-9-6-16;/h2-3,10H,4-9,11,17H2,1H3;1H
InChIKeyMALGJGGNAVJWEY-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.64
Rot. Bonds1

About (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride

(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride (PubChem CID 120638264) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
PubChem CID120638264
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCC2(CCOCC2)C1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-12-2-3-13(17)10-14(12)15(19)18-7-4-16(11-18)5-8-20-9-6-16;/h2-3,10H,4-9,11,17H2,1H3;1H
InChIKeyMALGJGGNAVJWEY-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
CID 119813649
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(5-amino-2-methylphenyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120647602
[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120625090
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 95990079
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride (CID 120638264) is (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride is Cc1ccc(N)cc1C(=O)N1CCC2(CCOCC2)C1.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride?
The InChIKey is MALGJGGNAVJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-12-2-3-13(17)10-14(12)15(19)18-7-4-16(11-18)5-8-20-9-6-16;/h2-3,10H,4-9,11,17H2,1H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride?
(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120638264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).