N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline

C18H20BrN — CID 43634016

IUPACN-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC2CC(c3ccccc3Br)C2)c1
InChIInChI=1S/C18H20BrN/c1-12-7-8-13(2)18(9-12)20-15-10-14(11-15)16-5-3-4-6-17(16)19/h3-9,14-15,20H,10-11H2,1-2H3
InChIKeyFTUGBRRPHGPYQI-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.42
Rot. Bonds3

About N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline

N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline (PubChem CID 43634016) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
PubChem CID43634016
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC2CC(c3ccccc3Br)C2)c1
InChIInChI=1S/C18H20BrN/c1-12-7-8-13(2)18(9-12)20-15-10-14(11-15)16-5-3-4-6-17(16)19/h3-9,14-15,20H,10-11H2,1-2H3
InChIKeyFTUGBRRPHGPYQI-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43632878
N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
CID 79042350
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
2-bromo-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 82761577
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline (CID 43634016) is N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline is Cc1ccc(C)c(NC2CC(c3ccccc3Br)C2)c1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline?
The InChIKey is FTUGBRRPHGPYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-7-8-13(2)18(9-12)20-15-10-14(11-15)16-5-3-4-6-17(16)19/h3-9,14-15,20H,10-11H2,1-2H3.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline?
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline has a molecular weight of 330.27 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline is sourced from PubChem (CID 43634016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).