(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol

C24H20BrNO — CID 11582463

IUPAC(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Nc1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H20BrNO/c25-21-15-16-22(20-14-8-7-13-19(20)21)26-23(17-9-3-1-4-10-17)24(27)18-11-5-2-6-12-18/h1-16,23-24,26-27H/t23-,24-/m0/s1
InChIKeyPCBNEFSIFLRCQK-ZEQRLZLVSA-N
MW418.33 g/mol
LogP6.49
Rot. Bonds5

About (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol

(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol (PubChem CID 11582463) has the molecular formula C24H20BrNO and a molecular weight of 418.33 g/mol. Its IUPAC name is (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol
PubChem CID11582463
Molecular FormulaC24H20BrNO
Molecular Weight418.33 g/mol
Exact Mass417.07
IUPAC Name(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Nc1ccc(Br)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H20BrNO/c25-21-15-16-22(20-14-8-7-13-19(20)21)26-23(17-9-3-1-4-10-17)24(27)18-11-5-2-6-12-18/h1-16,23-24,26-27H/t23-,24-/m0/s1
InChIKeyPCBNEFSIFLRCQK-ZEQRLZLVSA-N
XLogP6.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
CID 11174608
2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
CID 103390813
1,4-dibromonaphthalene
CID 162208061
4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
CID 113384458
1,2-diphenylethane-1,2-diol
CID 159073808
4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine
CID 113384472
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
CID 113384510

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol (CID 11582463) is (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@@H](Nc1ccc(Br)c2ccccc12)c1ccccc1.
What is the InChIKey of (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol?
The InChIKey is PCBNEFSIFLRCQK-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H20BrNO/c25-21-15-16-22(20-14-8-7-13-19(20)21)26-23(17-9-3-1-4-10-17)24(27)18-11-5-2-6-12-18/h1-16,23-24,26-27H/t23-,24-/m0/s1.
What are the key properties of (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol?
(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol has a molecular weight of 418.33 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol is sourced from PubChem (CID 11582463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).