1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol

C34H29NO — CID 23091538

IUPAC1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
SMILESNC(c1cccc2ccccc12)C(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C34H29NO/c35-33(32-21-9-15-26-12-3-6-20-31(26)32)34(36,22-27-16-7-13-24-10-1-4-18-29(24)27)23-28-17-8-14-25-11-2-5-19-30(25)28/h1-21,33,36H,22-23,35H2
InChIKeyHOJXUXQZEPYRAP-UHFFFAOYSA-N
MW467.61 g/mol
LogP7.36
Rot. Bonds6

About 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol

1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol (PubChem CID 23091538) has the molecular formula C34H29NO and a molecular weight of 467.61 g/mol. Its IUPAC name is 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
PubChem CID23091538
Molecular FormulaC34H29NO
Molecular Weight467.61 g/mol
Exact Mass467.22
IUPAC Name1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol
SMILESNC(c1cccc2ccccc12)C(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChIInChI=1S/C34H29NO/c35-33(32-21-9-15-26-12-3-6-20-31(26)32)34(36,22-27-16-7-13-24-10-1-4-18-29(24)27)23-28-17-8-14-25-11-2-5-19-30(25)28/h1-21,33,36H,22-23,35H2
InChIKeyHOJXUXQZEPYRAP-UHFFFAOYSA-N
XLogP7.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropan-2-ol
CID 23091401
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
N,N'-bis[2-hydroxy-3,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]propanediamide
CID 87435570
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
2,2,2-trichloro-1-naphthalen-1-ylethanamine
CID 101218530
2-amino-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-1-ol
CID 25214823
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
N,N'-bis[(1S)-2-hydroxy-3-(2-methylphenyl)-2-[(2-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]propanediamide
CID 66807729
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol?
The IUPAC name of 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol (CID 23091538) is 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol.
What is the SMILES notation for 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol?
The canonical SMILES for 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol is NC(c1cccc2ccccc12)C(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12.
What is the InChIKey of 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol?
The InChIKey is HOJXUXQZEPYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO/c35-33(32-21-9-15-26-12-3-6-20-31(26)32)34(36,22-27-16-7-13-24-10-1-4-18-29(24)27)23-28-17-8-14-25-11-2-5-19-30(25)28/h1-21,33,36H,22-23,35H2.
What are the key properties of 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol?
1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol has a molecular weight of 467.61 g/mol, XLogP of 7.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,3-dinaphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-2-ol is sourced from PubChem (CID 23091538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).