(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

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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).