N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C17H25NO3 — CID 86793837

IUPACN-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ccccc1OCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H25NO3/c1-14-4-2-3-5-16(14)19-11-10-18-15-6-8-17(9-7-15)20-12-13-21-17/h2-5,15,18H,6-13H2,1H3
InChIKeyLYLSVCKWAUYFGE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 86793837) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID86793837
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ccccc1OCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H25NO3/c1-14-4-2-3-5-16(14)19-11-10-18-15-6-8-17(9-7-15)20-12-13-21-17/h2-5,15,18H,6-13H2,1H3
InChIKeyLYLSVCKWAUYFGE-UHFFFAOYSA-N
XLogP2.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 75386741
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 103096650
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 105350594
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
CID 45097626
N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28646531

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 86793837) is N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cc1ccccc1OCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is LYLSVCKWAUYFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14-4-2-3-5-16(14)19-11-10-18-15-6-8-17(9-7-15)20-12-13-21-17/h2-5,15,18H,6-13H2,1H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 291.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 86793837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).