(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride

C11H14BrCl2N — CID 171204069

IUPAC(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)cc1Cl)C1CCC1
InChIInChI=1S/C11H13BrClN.ClH/c12-8-4-5-9(10(13)6-8)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyOHFNEEKUHQVHMC-RFVHGSKJSA-N
MW311.05 g/mol
LogP4.32
Rot. Bonds2

About (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride

(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride (PubChem CID 171204069) has the molecular formula C11H14BrCl2N and a molecular weight of 311.05 g/mol. Its IUPAC name is (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
PubChem CID171204069
Molecular FormulaC11H14BrCl2N
Molecular Weight311.05 g/mol
Exact Mass308.97
IUPAC Name(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)cc1Cl)C1CCC1
InChIInChI=1S/C11H13BrClN.ClH/c12-8-4-5-9(10(13)6-8)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyOHFNEEKUHQVHMC-RFVHGSKJSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.05
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride (CID 171204069) is (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Br)cc1Cl)C1CCC1.
What is the InChIKey of (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
The InChIKey is OHFNEEKUHQVHMC-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13BrClN.ClH/c12-8-4-5-9(10(13)6-8)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride has a molecular weight of 311.05 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171204069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).