(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol

C27H34N2O — CID 125451380

IUPAC(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol
SMILESCCCCN(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O/c1-3-4-20-29(2)21-26(22-30)28-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26,28,30H,3-4,20-22H2,1-2H3/t26-/m0/s1
InChIKeyBSBTUALBWWFKLD-SANMLTNESA-N
MW402.58 g/mol
LogP4.66
Rot. Bonds11

About (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol

(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol (PubChem CID 125451380) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol
PubChem CID125451380
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol
SMILESCCCCN(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O/c1-3-4-20-29(2)21-26(22-30)28-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26,28,30H,3-4,20-22H2,1-2H3/t26-/m0/s1
InChIKeyBSBTUALBWWFKLD-SANMLTNESA-N
XLogP4.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(dipropylamino)-2-(tritylamino)propan-1-ol
CID 125454147
(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol
CID 134884047
4-[butyl(methyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695023
3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64791382
2,9-dimethyl-N-trityldecan-5-amine
CID 67451317
2-fluoro-2-(tritylamino)ethanol
CID 166795725
2-(methylamino)-3-[methyl(propyl)amino]propan-1-ol
CID 64795916
2-(tritylamino)pentanoic acid
CID 70010724
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508
(2R)-3-[3-hydroxypropyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 129396199
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol?
The IUPAC name of (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol (CID 125451380) is (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol?
The canonical SMILES for (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol is CCCCN(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol?
The InChIKey is BSBTUALBWWFKLD-SANMLTNESA-N. The full InChI is InChI=1S/C27H34N2O/c1-3-4-20-29(2)21-26(22-30)28-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26,28,30H,3-4,20-22H2,1-2H3/t26-/m0/s1.
What are the key properties of (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol?
(2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol has a molecular weight of 402.58 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[butyl(methyl)amino]-2-(tritylamino)propan-1-ol is sourced from PubChem (CID 125451380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).