(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol

C18H27NO2 — CID 103921397

IUPAC(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
SMILESCCOC1CC(N[C@H](CO)c2ccccc2)C12CCCC2
InChIInChI=1S/C18H27NO2/c1-2-21-17-12-16(18(17)10-6-7-11-18)19-15(13-20)14-8-4-3-5-9-14/h3-5,8-9,15-17,19-20H,2,6-7,10-13H2,1H3/t15-,16?,17?/m1/s1
InChIKeyLFDJVJBUXOSPRT-KLAILNCOSA-N
MW289.42 g/mol
LogP3.05
Rot. Bonds6

About (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol

(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol (PubChem CID 103921397) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
PubChem CID103921397
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
SMILESCCOC1CC(N[C@H](CO)c2ccccc2)C12CCCC2
InChIInChI=1S/C18H27NO2/c1-2-21-17-12-16(18(17)10-6-7-11-18)19-15(13-20)14-8-4-3-5-9-14/h3-5,8-9,15-17,19-20H,2,6-7,10-13H2,1H3/t15-,16?,17?/m1/s1
InChIKeyLFDJVJBUXOSPRT-KLAILNCOSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol 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-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865194
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
N-[(1S)-1-(2-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81383561
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
CID 107862265
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
CID 64864038
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol (CID 103921397) is (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol is CCOC1CC(N[C@H](CO)c2ccccc2)C12CCCC2.
What is the InChIKey of (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol?
The InChIKey is LFDJVJBUXOSPRT-KLAILNCOSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-21-17-12-16(18(17)10-6-7-11-18)19-15(13-20)14-8-4-3-5-9-14/h3-5,8-9,15-17,19-20H,2,6-7,10-13H2,1H3/t15-,16?,17?/m1/s1.
What are the key properties of (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol?
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol has a molecular weight of 289.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol is sourced from PubChem (CID 103921397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).