(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol

C26H25NO3 — CID 66807936

IUPAC(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
SMILESCOc1cccc(C(O)(c2cccc(OC)c2)[C@H](N)c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H25NO3/c1-29-23-11-5-9-21(16-23)26(28,22-10-6-12-24(17-22)30-2)25(27)20-14-13-18-7-3-4-8-19(18)15-20/h3-17,25,28H,27H2,1-2H3/t25-/m1/s1
InChIKeyOZVCVWVNYJADKL-RUZDIDTESA-N
MW399.49 g/mol
LogP4.79
Rot. Bonds6

About (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol

(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol (PubChem CID 66807936) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
PubChem CID66807936
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
SMILESCOc1cccc(C(O)(c2cccc(OC)c2)[C@H](N)c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H25NO3/c1-29-23-11-5-9-21(16-23)26(28,22-10-6-12-24(17-22)30-2)25(27)20-14-13-18-7-3-4-8-19(18)15-20/h3-17,25,28H,27H2,1-2H3/t25-/m1/s1
InChIKeyOZVCVWVNYJADKL-RUZDIDTESA-N
XLogP4.79
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 23091475
(2R)-2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 66808040
(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807925
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
CID 66807993
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-[(3-methoxyphenyl)-diphenylmethyl]naphthalene
CID 54231735
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol?
The IUPAC name of (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol (CID 66807936) is (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol?
The canonical SMILES for (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol is COc1cccc(C(O)(c2cccc(OC)c2)[C@H](N)c2ccc3ccccc3c2)c1.
What is the InChIKey of (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol?
The InChIKey is OZVCVWVNYJADKL-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25NO3/c1-29-23-11-5-9-21(16-23)26(28,22-10-6-12-24(17-22)30-2)25(27)20-14-13-18-7-3-4-8-19(18)15-20/h3-17,25,28H,27H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol?
(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol has a molecular weight of 399.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 66807936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).