(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride

C12H15ClF3N — CID 171205794

IUPAC(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(F)c(F)c1F)C1CCCC1
InChIInChI=1S/C12H14F3N.ClH/c13-9-6-5-8(10(14)11(9)15)12(16)7-3-1-2-4-7;/h5-7,12H,1-4,16H2;1H/t12-;/m1./s1
InChIKeyCIZKNVACLRIBMH-UTONKHPSSA-N
MW265.71 g/mol
LogP3.72
Rot. Bonds2

About (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride

(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride (PubChem CID 171205794) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
PubChem CID171205794
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(F)c(F)c1F)C1CCCC1
InChIInChI=1S/C12H14F3N.ClH/c13-9-6-5-8(10(14)11(9)15)12(16)7-3-1-2-4-7;/h5-7,12H,1-4,16H2;1H/t12-;/m1./s1
InChIKeyCIZKNVACLRIBMH-UTONKHPSSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
CID 103852506
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
thian-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 80626778
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
2-amino-6-[(S)-amino(cyclobutyl)methyl]-3-fluorophenol;hydrochloride
CID 171254045

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride (CID 171205794) is (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1ccc(F)c(F)c1F)C1CCCC1.
What is the InChIKey of (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
The InChIKey is CIZKNVACLRIBMH-UTONKHPSSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c13-9-6-5-8(10(14)11(9)15)12(16)7-3-1-2-4-7;/h5-7,12H,1-4,16H2;1H/t12-;/m1./s1.
What are the key properties of (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride?
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171205794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).