N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

C17H25NO — CID 79903710

IUPACN-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1ccccc1CCNC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO/c1-14-5-2-3-6-15(14)7-11-18-16-8-12-19-17(13-16)9-4-10-17/h2-3,5-6,16,18H,4,7-13H2,1H3
InChIKeyJIWVKSUIRJTRQW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine

N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903710) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903710
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1ccccc1CCNC1CCOC2(CCC2)C1
InChIInChI=1S/C17H25NO/c1-14-5-2-3-6-15(14)7-11-18-16-8-12-19-17(13-16)9-4-10-17/h2-3,5-6,16,18H,4,7-13H2,1H3
InChIKeyJIWVKSUIRJTRQW-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
3,3-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79763760
N-[2-(2,4-dichlorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897553
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79903710) is N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is Cc1ccccc1CCNC1CCOC2(CCC2)C1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is JIWVKSUIRJTRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-5-2-3-6-15(14)7-11-18-16-8-12-19-17(13-16)9-4-10-17/h2-3,5-6,16,18H,4,7-13H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 259.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).