(2-bromo-6-chlorophenyl)-cyclobutylmethanamine

C11H13BrClN — CID 130166021

IUPAC(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1c(Cl)cccc1Br)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-8-5-2-6-9(13)10(8)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2
InChIKeyMDZYHBZLNJUEIO-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds2

About (2-bromo-6-chlorophenyl)-cyclobutylmethanamine

(2-bromo-6-chlorophenyl)-cyclobutylmethanamine (PubChem CID 130166021) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
PubChem CID130166021
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1c(Cl)cccc1Br)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-8-5-2-6-9(13)10(8)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2
InChIKeyMDZYHBZLNJUEIO-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 130612686
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
(S)-cyclobutyl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232393
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059
[cyclobutyl-(2,6-dichlorophenyl)methyl]hydrazine
CID 105340127
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-cyclobutylmethanamine?
The IUPAC name of (2-bromo-6-chlorophenyl)-cyclobutylmethanamine (CID 130166021) is (2-bromo-6-chlorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (2-bromo-6-chlorophenyl)-cyclobutylmethanamine is NC(c1c(Cl)cccc1Br)C1CCC1.
What is the InChIKey of (2-bromo-6-chlorophenyl)-cyclobutylmethanamine?
The InChIKey is MDZYHBZLNJUEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-8-5-2-6-9(13)10(8)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2.
What are the key properties of (2-bromo-6-chlorophenyl)-cyclobutylmethanamine?
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine has a molecular weight of 274.59 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 130166021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).