(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride

C12H14BrClF3NO — CID 171208272

IUPAC(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)cc(OC(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H13BrF3NO.ClH/c13-9-4-8(11(17)7-2-1-3-7)5-10(6-9)18-12(14,15)16;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1
InChIKeyBTRZXPZLDIBIBT-RFVHGSKJSA-N
MW360.60 g/mol
LogP4.57
Rot. Bonds3

About (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride

(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride (PubChem CID 171208272) has the molecular formula C12H14BrClF3NO and a molecular weight of 360.60 g/mol. Its IUPAC name is (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride
PubChem CID171208272
Molecular FormulaC12H14BrClF3NO
Molecular Weight360.60 g/mol
Exact Mass358.99
IUPAC Name(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)cc(OC(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H13BrF3NO.ClH/c13-9-4-8(11(17)7-2-1-3-7)5-10(6-9)18-12(14,15)16;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1
InChIKeyBTRZXPZLDIBIBT-RFVHGSKJSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(2S)-2-amino-2-[3-bromo-5-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208293
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(3S)-3-amino-3-[3-bromo-5-(trifluoromethoxy)phenyl]propanoic acid;hydrochloride
CID 130177162
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(1S)-1-[3-bromo-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
CID 171227830
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210144
3-bromo-N-cyclohexyl-5-(trifluoromethoxy)aniline
CID 172649953
1-[(1R)-1-[3-bromo-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171137

Frequently Asked Questions

What is the IUPAC name of (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride (CID 171208272) is (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride is Cl.N[C@@H](c1cc(Br)cc(OC(F)(F)F)c1)C1CCC1.
What is the InChIKey of (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride?
The InChIKey is BTRZXPZLDIBIBT-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H13BrF3NO.ClH/c13-9-4-8(11(17)7-2-1-3-7)5-10(6-9)18-12(14,15)16;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride?
(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride has a molecular weight of 360.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171208272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).