N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline

C16H15BrIN — CID 43635062

IUPACN-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline
SMILESBrc1ccc(C2CC(Nc3cccc(I)c3)C2)cc1
InChIInChI=1S/C16H15BrIN/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
InChIKeyCLNCZDNJAFXJBC-UHFFFAOYSA-N
MW428.11 g/mol
LogP5.41
Rot. Bonds3

About N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline

N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline (PubChem CID 43635062) has the molecular formula C16H15BrIN and a molecular weight of 428.11 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline
PubChem CID43635062
Molecular FormulaC16H15BrIN
Molecular Weight428.11 g/mol
Exact Mass426.94
IUPAC NameN-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline
SMILESBrc1ccc(C2CC(Nc3cccc(I)c3)C2)cc1
InChIInChI=1S/C16H15BrIN/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
InChIKeyCLNCZDNJAFXJBC-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.11
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
CID 43633547
N-[3-(4-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635060
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635064
N-[3-(4-bromophenyl)cyclobutyl]-3-nitroaniline
CID 43718064
N-[3-(4-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633067
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-[3-(4-bromophenyl)cyclobutyl]pyrrol-1-amine
CID 79089649
3-bromo-5-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 107582526
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline?
The IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline (CID 43635062) is N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline.
What is the SMILES notation for N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline?
The canonical SMILES for N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline is Brc1ccc(C2CC(Nc3cccc(I)c3)C2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline?
The InChIKey is CLNCZDNJAFXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrIN/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 N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline?
N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline has a molecular weight of 428.11 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)cyclobutyl]-3-iodoaniline is sourced from PubChem (CID 43635062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).