3-bromo-N-tritylbutan-1-amine

C23H24BrN — CID 57015899

IUPAC3-bromo-N-tritylbutan-1-amine
SMILESCC(Br)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BrN/c1-19(24)17-18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,25H,17-18H2,1H3
InChIKeyQQLQFIJGNACKPT-UHFFFAOYSA-N
MW394.36 g/mol
LogP5.74
Rot. Bonds7

About 3-bromo-N-tritylbutan-1-amine

3-bromo-N-tritylbutan-1-amine (PubChem CID 57015899) has the molecular formula C23H24BrN and a molecular weight of 394.36 g/mol. Its IUPAC name is 3-bromo-N-tritylbutan-1-amine.

Molecular Properties

Compound Name3-bromo-N-tritylbutan-1-amine
PubChem CID57015899
Molecular FormulaC23H24BrN
Molecular Weight394.36 g/mol
Exact Mass393.11
IUPAC Name3-bromo-N-tritylbutan-1-amine
SMILESCC(Br)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24BrN/c1-19(24)17-18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,25H,17-18H2,1H3
InChIKeyQQLQFIJGNACKPT-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-trityl-N-[4-[7-(tritylamino)heptylamino]butyl]heptane-1,7-diamine
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ethane;3-methyl-1-(tritylamino)butan-2-ol
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(2S)-2-amino-6-(tritylamino)hexan-1-ol
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N-[2-(tritylamino)ethyl]formamide
CID 11002043
4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
CID 19438513
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
N-(3-bromobutyl)-2-methylaniline
CID 90819159
N-[(4-bromophenyl)methyl]-N'-tritylethane-1,2-diamine
CID 171637668
N-benzyl-N'-tritylbutane-1,4-diamine
CID 11037211
2-(benzylideneamino)-N-tritylethanamine
CID 101473643

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tritylbutan-1-amine?
The IUPAC name of 3-bromo-N-tritylbutan-1-amine (CID 57015899) is 3-bromo-N-tritylbutan-1-amine.
What is the SMILES notation for 3-bromo-N-tritylbutan-1-amine?
The canonical SMILES for 3-bromo-N-tritylbutan-1-amine is CC(Br)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromo-N-tritylbutan-1-amine?
The InChIKey is QQLQFIJGNACKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN/c1-19(24)17-18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,25H,17-18H2,1H3.
What are the key properties of 3-bromo-N-tritylbutan-1-amine?
3-bromo-N-tritylbutan-1-amine has a molecular weight of 394.36 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tritylbutan-1-amine is sourced from PubChem (CID 57015899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).