(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol

C16H19NO3 — CID 90478708

IUPAC(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](N)[C@@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19NO3/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16,18H,17H2,1-2H3/t15-,16-/m0/s1
InChIKeyDUEBHXGFCXXGHK-HOTGVXAUSA-N
MW273.33 g/mol
LogP2.44
Rot. Bonds5

About (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol

(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol (PubChem CID 90478708) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
PubChem CID90478708
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](N)[C@@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H19NO3/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16,18H,17H2,1-2H3/t15-,16-/m0/s1
InChIKeyDUEBHXGFCXXGHK-HOTGVXAUSA-N
XLogP2.44
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
(1R,2R)-2-hydrazinyl-1,2-bis(4-methoxyphenyl)ethanol
CID 124634382
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
(1R,2S,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 15246890
(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 15246889

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol?
The IUPAC name of (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol (CID 90478708) is (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol is COc1ccc([C@H](N)[C@@H](O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol?
The InChIKey is DUEBHXGFCXXGHK-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16,18H,17H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol?
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol is sourced from PubChem (CID 90478708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).