ethane;3-methyl-1-(tritylamino)butan-2-ol

C26H33NO — CID 142862974

IUPACethane;3-methyl-1-(tritylamino)butan-2-ol
SMILESCC.CC(C)C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO.C2H6/c1-19(2)23(26)18-25-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;1-2/h3-17,19,23,25-26H,18H2,1-2H3;1-2H3
InChIKeyRDISMRWZWLAEPR-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.61
Rot. Bonds7

About ethane;3-methyl-1-(tritylamino)butan-2-ol

ethane;3-methyl-1-(tritylamino)butan-2-ol (PubChem CID 142862974) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is ethane;3-methyl-1-(tritylamino)butan-2-ol.

Molecular Properties

Compound Nameethane;3-methyl-1-(tritylamino)butan-2-ol
PubChem CID142862974
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC Nameethane;3-methyl-1-(tritylamino)butan-2-ol
SMILESCC.CC(C)C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO.C2H6/c1-19(2)23(26)18-25-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;1-2/h3-17,19,23,25-26H,18H2,1-2H3;1-2H3
InChIKeyRDISMRWZWLAEPR-UHFFFAOYSA-N
XLogP5.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze ethane;3-methyl-1-(tritylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918
3-bromo-N-tritylbutan-1-amine
CID 57015899
1-[1-hydroxy-2-(tritylamino)ethyl]-5-methylpyrimidine-2,4-dione
CID 122496364
3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 107876430
3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
CID 115720487
methyl 2-(tritylamino)acetate
CID 637611
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
1-(2-iodoanilino)-3-methylbutan-2-ol
CID 126975335
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
(2S)-2-(tritylamino)propanal
CID 11723234

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(tritylamino)butan-2-ol?
The IUPAC name of ethane;3-methyl-1-(tritylamino)butan-2-ol (CID 142862974) is ethane;3-methyl-1-(tritylamino)butan-2-ol.
What is the SMILES notation for ethane;3-methyl-1-(tritylamino)butan-2-ol?
The canonical SMILES for ethane;3-methyl-1-(tritylamino)butan-2-ol is CC.CC(C)C(O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;3-methyl-1-(tritylamino)butan-2-ol?
The InChIKey is RDISMRWZWLAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO.C2H6/c1-19(2)23(26)18-25-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;1-2/h3-17,19,23,25-26H,18H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(tritylamino)butan-2-ol?
ethane;3-methyl-1-(tritylamino)butan-2-ol has a molecular weight of 375.56 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(tritylamino)butan-2-ol is sourced from PubChem (CID 142862974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).