N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine

C18H27NO2 — CID 102896328

IUPACN-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H27NO2/c1-14(19-2)15-6-5-7-16(12-15)20-13-17-8-11-18(21-17)9-3-4-10-18/h5-7,12,14,17,19H,3-4,8-11,13H2,1-2H3
InChIKeySVPQRKQCYIVPMX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds5

About N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine

N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 102896328) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
PubChem CID102896328
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H27NO2/c1-14(19-2)15-6-5-7-16(12-15)20-13-17-8-11-18(21-17)9-3-4-10-18/h5-7,12,14,17,19H,3-4,8-11,13H2,1-2H3
InChIKeySVPQRKQCYIVPMX-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897573
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901507
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine (CID 102896328) is N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine is CNC(C)c1cccc(OCC2CCC3(CCCC3)O2)c1.
What is the InChIKey of N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is SVPQRKQCYIVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(19-2)15-6-5-7-16(12-15)20-13-17-8-11-18(21-17)9-3-4-10-18/h5-7,12,14,17,19H,3-4,8-11,13H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine?
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 102896328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).