N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline

C17H17BrClN — CID 43634088

IUPACN-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
SMILESCc1cc(Cl)ccc1NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C17H17BrClN/c1-11-8-13(19)6-7-17(11)20-14-9-12(10-14)15-4-2-3-5-16(15)18/h2-8,12,14,20H,9-10H2,1H3
InChIKeyWVGHSWWSZBYJHN-UHFFFAOYSA-N
MW350.69 g/mol
LogP5.77
Rot. Bonds3

About N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline

N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline (PubChem CID 43634088) has the molecular formula C17H17BrClN and a molecular weight of 350.69 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
PubChem CID43634088
Molecular FormulaC17H17BrClN
Molecular Weight350.69 g/mol
Exact Mass349.02
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
SMILESCc1cc(Cl)ccc1NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C17H17BrClN/c1-11-8-13(19)6-7-17(11)20-14-9-12(10-14)15-4-2-3-5-16(15)18/h2-8,12,14,20H,9-10H2,1H3
InChIKeyWVGHSWWSZBYJHN-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.69
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
4-bromo-N-[3-(4-chlorophenyl)cyclobutyl]-2-methylaniline
CID 43633029
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-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43632878
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline (CID 43634088) is N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline is Cc1cc(Cl)ccc1NC1CC(c2ccccc2Br)C1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline?
The InChIKey is WVGHSWWSZBYJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN/c1-11-8-13(19)6-7-17(11)20-14-9-12(10-14)15-4-2-3-5-16(15)18/h2-8,12,14,20H,9-10H2,1H3.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline?
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline has a molecular weight of 350.69 g/mol, XLogP of 5.77, 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]-4-chloro-2-methylaniline is sourced from PubChem (CID 43634088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).