(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C12H15ClF3N — CID 171206809

IUPAC(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1
InChIKeyIXYBCGMWYAXCSG-RFVHGSKJSA-N
MW265.71 g/mol
LogP3.93
Rot. Bonds2

About (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride

(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 171206809) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID171206809
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1
InChIKeyIXYBCGMWYAXCSG-RFVHGSKJSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 171206809) is (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1.
What is the InChIKey of (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is IXYBCGMWYAXCSG-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8;/h2,5-8,11H,1,3-4,16H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171206809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).