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

C22H23NO3 — CID 11187177

IUPAC(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C22H23NO3/c1-25-19-12-8-17(9-13-19)22(24,18-10-14-20(26-2)15-11-18)21(23)16-6-4-3-5-7-16/h3-15,21,24H,23H2,1-2H3/t21-/m0/s1
InChIKeyFMXHUQVRXDIDLF-NRFANRHFSA-N
MW349.43 g/mol
LogP3.64
Rot. Bonds6

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

(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol (PubChem CID 11187177) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
PubChem CID11187177
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C22H23NO3/c1-25-19-12-8-17(9-13-19)22(24,18-10-14-20(26-2)15-11-18)21(23)16-6-4-3-5-7-16/h3-15,21,24H,23H2,1-2H3/t21-/m0/s1
InChIKeyFMXHUQVRXDIDLF-NRFANRHFSA-N
XLogP3.64
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 23091475
N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide
CID 141117187
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807936
1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
CID 168720238
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol?
The IUPAC name of (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol (CID 11187177) is (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol.
What is the SMILES notation for (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol?
The canonical SMILES for (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol is COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol?
The InChIKey is FMXHUQVRXDIDLF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO3/c1-25-19-12-8-17(9-13-19)22(24,18-10-14-20(26-2)15-11-18)21(23)16-6-4-3-5-7-16/h3-15,21,24H,23H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol?
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol has a molecular weight of 349.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol is sourced from PubChem (CID 11187177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).