3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol

C18H27NO2 — CID 95971660

IUPAC3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
SMILESCCO[C@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2
InChIInChI=1S/C18H27NO2/c1-2-21-17-12-16(18(17)9-4-3-5-10-18)19-13-14-7-6-8-15(20)11-14/h6-8,11,16-17,19-20H,2-5,9-10,12-13H2,1H3/t16-,17+/m1/s1
InChIKeyIIRGZAREOFZPFD-SJORKVTESA-N
MW289.42 g/mol
LogP3.61
Rot. Bonds5

About 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol

3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol (PubChem CID 95971660) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
PubChem CID95971660
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
SMILESCCO[C@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2
InChIInChI=1S/C18H27NO2/c1-2-21-17-12-16(18(17)9-4-3-5-10-18)19-13-14-7-6-8-15(20)11-14/h6-8,11,16-17,19-20H,2-5,9-10,12-13H2,1H3/t16-,17+/m1/s1
InChIKeyIIRGZAREOFZPFD-SJORKVTESA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol with MolForge

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Related Compounds

3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
3-[[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]methyl]-N-methylbenzenesulfonamide
CID 97336126
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
CID 103743260
(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680812
(1S,3S)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680815
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 95934147
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 71925656
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
CID 103702260

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol?
The IUPAC name of 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol (CID 95971660) is 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol?
The canonical SMILES for 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol is CCO[C@H]1C[C@@H](NCc2cccc(O)c2)C12CCCCC2.
What is the InChIKey of 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol?
The InChIKey is IIRGZAREOFZPFD-SJORKVTESA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-21-17-12-16(18(17)9-4-3-5-10-18)19-13-14-7-6-8-15(20)11-14/h6-8,11,16-17,19-20H,2-5,9-10,12-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol?
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol has a molecular weight of 289.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol is sourced from PubChem (CID 95971660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).