7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane

C15H21NO — CID 172620639

IUPAC7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
SMILESCc1cccc(CCN2CCCC3(CO3)C2)c1
InChIInChI=1S/C15H21NO/c1-13-4-2-5-14(10-13)6-9-16-8-3-7-15(11-16)12-17-15/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeyYKQSAFAMQPZMBY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds3

About 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane

7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane (PubChem CID 172620639) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
PubChem CID172620639
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
SMILESCc1cccc(CCN2CCCC3(CO3)C2)c1
InChIInChI=1S/C15H21NO/c1-13-4-2-5-14(10-13)6-9-16-8-3-7-15(11-16)12-17-15/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeyYKQSAFAMQPZMBY-UHFFFAOYSA-N
XLogP2.40
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97395102
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
CID 62315382
N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
CID 97397277
N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155874709
[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 174727884
9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
CID 99782597
N,N-dimethyl-5-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazol-2-amine
CID 28980054

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane (CID 172620639) is 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane is Cc1cccc(CCN2CCCC3(CO3)C2)c1.
What is the InChIKey of 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane?
The InChIKey is YKQSAFAMQPZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13-4-2-5-14(10-13)6-9-16-8-3-7-15(11-16)12-17-15/h2,4-5,10H,3,6-9,11-12H2,1H3.
What are the key properties of 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane?
7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane has a molecular weight of 231.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 172620639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).