N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C16H23NO2 — CID 79898310

IUPACN-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCOc1ccc(CNC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-18-15-5-3-13(4-6-15)12-17-14-7-10-19-16(11-14)8-2-9-16/h3-6,14,17H,2,7-12H2,1H3
InChIKeyQHERDYSSXBRKIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79898310) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79898310
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCOc1ccc(CNC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-18-15-5-3-13(4-6-15)12-17-14-7-10-19-16(11-14)8-2-9-16/h3-6,14,17H,2,7-12H2,1H3
InChIKeyQHERDYSSXBRKIY-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903736
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[(4-fluorophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898021
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79898310) is N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is COc1ccc(CNC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is QHERDYSSXBRKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-5-3-13(4-6-15)12-17-14-7-10-19-16(11-14)8-2-9-16/h3-6,14,17H,2,7-12H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 261.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79898310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).