(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol

C28H29NO3 — CID 66807993

IUPAC(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
SMILESCOc1ccc(CC(O)(Cc2ccc(OC)cc2)[C@H](N)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H29NO3/c1-31-25-13-7-20(8-14-25)18-28(30,19-21-9-15-26(32-2)16-10-21)27(29)24-12-11-22-5-3-4-6-23(22)17-24/h3-17,27,30H,18-19,29H2,1-2H3/t27-/m1/s1
InChIKeyDDGZTQILVUHKSC-HHHXNRCGSA-N
MW427.54 g/mol
LogP5.07
Rot. Bonds8

About (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol

(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol (PubChem CID 66807993) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
PubChem CID66807993
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol
SMILESCOc1ccc(CC(O)(Cc2ccc(OC)cc2)[C@H](N)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H29NO3/c1-31-25-13-7-20(8-14-25)18-28(30,19-21-9-15-26(32-2)16-10-21)27(29)24-12-11-22-5-3-4-6-23(22)17-24/h3-17,27,30H,18-19,29H2,1-2H3/t27-/m1/s1
InChIKeyDDGZTQILVUHKSC-HHHXNRCGSA-N
XLogP5.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.07
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
(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807925
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
(2R)-2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 66808040
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
CID 100944960
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol?
The IUPAC name of (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol (CID 66807993) is (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol is COc1ccc(CC(O)(Cc2ccc(OC)cc2)[C@H](N)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol?
The InChIKey is DDGZTQILVUHKSC-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H29NO3/c1-31-25-13-7-20(8-14-25)18-28(30,19-21-9-15-26(32-2)16-10-21)27(29)24-12-11-22-5-3-4-6-23(22)17-24/h3-17,27,30H,18-19,29H2,1-2H3/t27-/m1/s1.
What are the key properties of (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol?
(1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol has a molecular weight of 427.54 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 66807993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).