(2-bromo-4-chlorophenyl)-cyclobutylmethanamine

C11H13BrClN — CID 103947074

IUPAC(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1ccc(Cl)cc1Br)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-10-6-8(13)4-5-9(10)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2
InChIKeyITJGDKQCXAZINM-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-cyclobutylmethanamine

(2-bromo-4-chlorophenyl)-cyclobutylmethanamine (PubChem CID 103947074) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
PubChem CID103947074
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1ccc(Cl)cc1Br)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-10-6-8(13)4-5-9(10)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2
InChIKeyITJGDKQCXAZINM-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)-(2-bromo-4-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257336
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
[1-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
CID 107997064
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-cyclobutylmethanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-cyclobutylmethanamine (CID 103947074) is (2-bromo-4-chlorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-cyclobutylmethanamine is NC(c1ccc(Cl)cc1Br)C1CCC1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-cyclobutylmethanamine?
The InChIKey is ITJGDKQCXAZINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-10-6-8(13)4-5-9(10)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2.
What are the key properties of (2-bromo-4-chlorophenyl)-cyclobutylmethanamine?
(2-bromo-4-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-4-chlorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 103947074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).