(5-bromo-2-chlorophenyl)-cyclobutylmethanamine

C11H13BrClN — CID 112631034

IUPAC(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1cc(Br)ccc1Cl)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-8-4-5-10(13)9(6-8)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2
InChIKeyAYFOHNBDZSOKNL-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-cyclobutylmethanamine

(5-bromo-2-chlorophenyl)-cyclobutylmethanamine (PubChem CID 112631034) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
PubChem CID112631034
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
SMILESNC(c1cc(Br)ccc1Cl)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-8-4-5-10(13)9(6-8)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2
InChIKeyAYFOHNBDZSOKNL-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)-(5-bromo-2-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257309
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
[(5-bromo-2-chlorophenyl)-cyclobutylmethyl]hydrazine
CID 105340076
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915
(5-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016683
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-cyclobutylmethanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-cyclobutylmethanamine (CID 112631034) is (5-bromo-2-chlorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-cyclobutylmethanamine is NC(c1cc(Br)ccc1Cl)C1CCC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-cyclobutylmethanamine?
The InChIKey is AYFOHNBDZSOKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-8-4-5-10(13)9(6-8)11(14)7-2-1-3-7/h4-7,11H,1-3,14H2.
What are the key properties of (5-bromo-2-chlorophenyl)-cyclobutylmethanamine?
(5-bromo-2-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 (5-bromo-2-chlorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 112631034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).