(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol

C16H19NO3 — CID 66515873

IUPAC(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
SMILESCOc1cccc([C@H](N)CO)c1OCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-15-9-5-8-13(14(17)10-18)16(15)20-11-12-6-3-2-4-7-12/h2-9,14,18H,10-11,17H2,1H3/t14-/m1/s1
InChIKeyYFMXJWMCCSHAFB-CQSZACIVSA-N
MW273.33 g/mol
LogP2.27
Rot. Bonds6

About (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol

(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol (PubChem CID 66515873) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
PubChem CID66515873
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
SMILESCOc1cccc([C@H](N)CO)c1OCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-19-15-9-5-8-13(14(17)10-18)16(15)20-11-12-6-3-2-4-7-12/h2-9,14,18H,10-11,17H2,1H3/t14-/m1/s1
InChIKeyYFMXJWMCCSHAFB-CQSZACIVSA-N
XLogP2.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
CID 66515135
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol (CID 66515873) is (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol is COc1cccc([C@H](N)CO)c1OCc1ccccc1.
What is the InChIKey of (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol?
The InChIKey is YFMXJWMCCSHAFB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-15-9-5-8-13(14(17)10-18)16(15)20-11-12-6-3-2-4-7-12/h2-9,14,18H,10-11,17H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol?
(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.27, 6 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-2-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 66515873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).