(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol

C24H27NO — CID 11772348

IUPAC(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
SMILESCc1cc(C)c(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C24H27NO/c1-17-14-18(2)22(19(3)15-17)16-25-23(20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21/h4-15,23-26H,16H2,1-3H3/t23-,24+/m0/s1
InChIKeyKSMDHRMUIUCFQV-BJKOFHAPSA-N
MW345.49 g/mol
LogP5.18
Rot. Bonds6

About (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol

(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol (PubChem CID 11772348) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
PubChem CID11772348
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
SMILESCc1cc(C)c(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C24H27NO/c1-17-14-18(2)22(19(3)15-17)16-25-23(20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21/h4-15,23-26H,16H2,1-3H3/t23-,24+/m0/s1
InChIKeyKSMDHRMUIUCFQV-BJKOFHAPSA-N
XLogP5.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol with MolForge

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Related Compounds

1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62048044
1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 139633406
2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 14093660
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
CID 19806393
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
CID 14391185
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol
CID 13496223
sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 173391415
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol?
The IUPAC name of (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol (CID 11772348) is (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol.
What is the SMILES notation for (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol?
The canonical SMILES for (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol is Cc1cc(C)c(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(C)c1.
What is the InChIKey of (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol?
The InChIKey is KSMDHRMUIUCFQV-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H27NO/c1-17-14-18(2)22(19(3)15-17)16-25-23(20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21/h4-15,23-26H,16H2,1-3H3/t23-,24+/m0/s1.
What are the key properties of (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol?
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol has a molecular weight of 345.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol is sourced from PubChem (CID 11772348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).