(2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol

C15H23NO3 — CID 66515970

IUPAC(2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol
SMILESC=CCc1cc([C@H](N)CO)cc(OC)c1OC(C)C
InChIInChI=1S/C15H23NO3/c1-5-6-11-7-12(13(16)9-17)8-14(18-4)15(11)19-10(2)3/h5,7-8,10,13,17H,1,6,9,16H2,2-4H3/t13-/m1/s1
InChIKeyMOGZKTSKNVABPX-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.20
Rot. Bonds7

About (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol

(2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol (PubChem CID 66515970) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol
PubChem CID66515970
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol
SMILESC=CCc1cc([C@H](N)CO)cc(OC)c1OC(C)C
InChIInChI=1S/C15H23NO3/c1-5-6-11-7-12(13(16)9-17)8-14(18-4)15(11)19-10(2)3/h5,7-8,10,13,17H,1,6,9,16H2,2-4H3/t13-/m1/s1
InChIKeyMOGZKTSKNVABPX-CYBMUJFWSA-N
XLogP2.20
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]thiourea
CID 168535236
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
(1S)-1-(3,4,5-trimethoxyphenyl)pent-4-en-1-amine
CID 171219154
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
(2R)-2-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311821
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
2-amino-2-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)ethanol
CID 117489330
(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
CID 46834546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol (CID 66515970) is (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol is C=CCc1cc([C@H](N)CO)cc(OC)c1OC(C)C.
What is the InChIKey of (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol?
The InChIKey is MOGZKTSKNVABPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-11-7-12(13(16)9-17)8-14(18-4)15(11)19-10(2)3/h5,7-8,10,13,17H,1,6,9,16H2,2-4H3/t13-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol?
(2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)ethanol is sourced from PubChem (CID 66515970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).