N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine

C17H25NO2 — CID 79895159

IUPACN-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCOCc1cccc(NC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-19-13-14-5-4-6-15(11-14)18-16-7-10-20-17(12-16)8-2-3-9-17/h4-6,11,16,18H,2-3,7-10,12-13H2,1H3
InChIKeyFQIJDNONAPNELR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.74
Rot. Bonds4

About N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine

N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895159) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895159
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCOCc1cccc(NC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H25NO2/c1-19-13-14-5-4-6-15(11-14)18-16-7-10-20-17(12-16)8-2-3-9-17/h4-6,11,16,18H,2-3,7-10,12-13H2,1H3
InChIKeyFQIJDNONAPNELR-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine (CID 79895159) is N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine is COCc1cccc(NC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is FQIJDNONAPNELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-13-14-5-4-6-15(11-14)18-16-7-10-20-17(12-16)8-2-3-9-17/h4-6,11,16,18H,2-3,7-10,12-13H2,1H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine?
N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 275.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).