2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol

C26H25NO3 — CID 23091475

IUPAC2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C(N)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H25NO3/c1-29-23-13-9-21(10-14-23)26(28,22-11-15-24(30-2)16-12-22)25(27)20-8-7-18-5-3-4-6-19(18)17-20/h3-17,25,28H,27H2,1-2H3
InChIKeyCXIFFOGILQHNOO-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.79
Rot. Bonds6

About 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol

2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol (PubChem CID 23091475) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
PubChem CID23091475
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C(N)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H25NO3/c1-29-23-13-9-21(10-14-23)26(28,22-11-15-24(30-2)16-12-22)25(27)20-8-7-18-5-3-4-6-19(18)17-20/h3-17,25,28H,27H2,1-2H3
InChIKeyCXIFFOGILQHNOO-UHFFFAOYSA-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

(2R)-2-amino-1,1-bis(3-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807936
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807925
(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
CID 66807993
(2R)-2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 66808040
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
CID 171311499

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol?
The IUPAC name of 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol (CID 23091475) is 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol?
The canonical SMILES for 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol is COc1ccc(C(O)(c2ccc(OC)cc2)C(N)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol?
The InChIKey is CXIFFOGILQHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-29-23-13-9-21(10-14-23)26(28,22-11-15-24(30-2)16-12-22)25(27)20-8-7-18-5-3-4-6-19(18)17-20/h3-17,25,28H,27H2,1-2H3.
What are the key properties of 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol?
2-amino-1,1-bis(4-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 2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 23091475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).