3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline

C16H15Br2N — CID 43633547

IUPAC3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
SMILESBrc1ccc(C2CC(Nc3cccc(Br)c3)C2)cc1
InChIInChI=1S/C16H15Br2N/c17-13-6-4-11(5-7-13)12-8-16(9-12)19-15-3-1-2-14(18)10-15/h1-7,10,12,16,19H,8-9H2
InChIKeyVRWBWENQHQIYFE-UHFFFAOYSA-N
MW381.11 g/mol
LogP5.57
Rot. Bonds3

About 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline

3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline (PubChem CID 43633547) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
PubChem CID43633547
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
SMILESBrc1ccc(C2CC(Nc3cccc(Br)c3)C2)cc1
InChIInChI=1S/C16H15Br2N/c17-13-6-4-11(5-7-13)12-8-16(9-12)19-15-3-1-2-14(18)10-15/h1-7,10,12,16,19H,8-9H2
InChIKeyVRWBWENQHQIYFE-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

N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline
CID 43635062
N-[3-(4-bromophenyl)cyclobutyl]-3-nitroaniline
CID 43718064
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 107582526
N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine
CID 43633283
N-[3-(4-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633067
N-[3-(3-bromophenyl)cyclobutyl]-4-chloro-3-fluoroaniline
CID 43721602
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
4-[[3-(3-bromophenyl)cyclobutyl]amino]-2,6-dichlorophenol
CID 107678955

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline?
The IUPAC name of 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline (CID 43633547) is 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline?
The canonical SMILES for 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline is Brc1ccc(C2CC(Nc3cccc(Br)c3)C2)cc1.
What is the InChIKey of 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline?
The InChIKey is VRWBWENQHQIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-13-6-4-11(5-7-13)12-8-16(9-12)19-15-3-1-2-14(18)10-15/h1-7,10,12,16,19H,8-9H2.
What are the key properties of 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline?
3-bromo-N-[3-(4-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 3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).