2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline

C16H15Br2N — CID 43633521

IUPAC2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
SMILESBrc1ccccc1NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H15Br2N/c17-14-6-2-1-5-13(14)11-9-12(10-11)19-16-8-4-3-7-15(16)18/h1-8,11-12,19H,9-10H2
InChIKeyVOAUHJALCBKBLM-UHFFFAOYSA-N
MW381.11 g/mol
LogP5.57
Rot. Bonds3

About 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline

2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline (PubChem CID 43633521) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
PubChem CID43633521
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
SMILESBrc1ccccc1NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H15Br2N/c17-14-6-2-1-5-13(14)11-9-12(10-11)19-16-8-4-3-7-15(16)18/h1-8,11-12,19H,9-10H2
InChIKeyVOAUHJALCBKBLM-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.11
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
CID 79042350
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251
3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
CID 43634745
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
The IUPAC name of 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline (CID 43633521) is 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
The canonical SMILES for 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline is Brc1ccccc1NC1CC(c2ccccc2Br)C1.
What is the InChIKey of 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
The InChIKey is VOAUHJALCBKBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-14-6-2-1-5-13(14)11-9-12(10-11)19-16-8-4-3-7-15(16)18/h1-8,11-12,19H,9-10H2.
What are the key properties of 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline?
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline has a molecular weight of 381.11 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).