N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C16H23NO3 — CID 79894908

IUPACN-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCOc1cccc(CNC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H23NO3/c1-18-15-4-2-3-13(9-15)11-17-14-5-7-20-16(10-14)6-8-19-12-16/h2-4,9,14,17H,5-8,10-12H2,1H3
InChIKeyGADIHPDWXUBRSP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.12
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79894908) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79894908
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCOc1cccc(CNC2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H23NO3/c1-18-15-4-2-3-13(9-15)11-17-14-5-7-20-16(10-14)6-8-19-12-16/h2-4,9,14,17H,5-8,10-12H2,1H3
InChIKeyGADIHPDWXUBRSP-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96577043
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
(5S,9R)-N-[(3,5-dimethoxyphenyl)methyl]-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-amine
CID 99776740

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 79894908) is N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is COc1cccc(CNC2CCOC3(CCOC3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is GADIHPDWXUBRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-15-4-2-3-13(9-15)11-17-14-5-7-20-16(10-14)6-8-19-12-16/h2-4,9,14,17H,5-8,10-12H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 277.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79894908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).