(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride

C11H14Br2ClN — CID 171213936

IUPAC(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)cc(Br)c1)C1CCC1
InChIInChI=1S/C11H13Br2N.ClH/c12-9-4-8(5-10(13)6-9)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyFJESTAGIKYARGC-RFVHGSKJSA-N
MW355.50 g/mol
LogP4.43
Rot. Bonds2

About (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride

(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride (PubChem CID 171213936) has the molecular formula C11H14Br2ClN and a molecular weight of 355.50 g/mol. Its IUPAC name is (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
PubChem CID171213936
Molecular FormulaC11H14Br2ClN
Molecular Weight355.50 g/mol
Exact Mass352.92
IUPAC Name(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)cc(Br)c1)C1CCC1
InChIInChI=1S/C11H13Br2N.ClH/c12-9-4-8(5-10(13)6-9)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyFJESTAGIKYARGC-RFVHGSKJSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171208272
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
CID 171200000
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride (CID 171213936) is (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cc(Br)cc(Br)c1)C1CCC1.
What is the InChIKey of (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride?
The InChIKey is FJESTAGIKYARGC-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13Br2N.ClH/c12-9-4-8(5-10(13)6-9)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride has a molecular weight of 355.50 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171213936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).