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

C26H25NO3 — CID 66807925

IUPAC(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C26H25NO3/c1-29-23-13-7-5-11-21(23)26(28,22-12-6-8-14-24(22)30-2)25(27)20-16-15-18-9-3-4-10-19(18)17-20/h3-17,25,28H,27H2,1-2H3/t25-/m1/s1
InChIKeyHCKLZLQSLADGBW-RUZDIDTESA-N
MW399.49 g/mol
LogP4.79
Rot. Bonds6

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

(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol (PubChem CID 66807925) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
PubChem CID66807925
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C26H25NO3/c1-29-23-13-7-5-11-21(23)26(28,22-12-6-8-14-24(22)30-2)25(27)20-16-15-18-9-3-4-10-19(18)17-20/h3-17,25,28H,27H2,1-2H3/t25-/m1/s1
InChIKeyHCKLZLQSLADGBW-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-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807936
(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
CID 66807993
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
(2R)-2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 66808040
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol?
The IUPAC name of (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol (CID 66807925) is (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol?
The canonical SMILES for (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol is COc1ccccc1C(O)(c1ccccc1OC)[C@H](N)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol?
The InChIKey is HCKLZLQSLADGBW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25NO3/c1-29-23-13-7-5-11-21(23)26(28,22-12-6-8-14-24(22)30-2)25(27)20-16-15-18-9-3-4-10-19(18)17-20/h3-17,25,28H,27H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol?
(2R)-2-amino-1,1-bis(2-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(2-methoxyphenyl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 66807925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).