(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride

C13H19ClF3N — CID 171206800

IUPAC(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3N.ClH/c1-2-3-4-8-12(17)10-6-5-7-11(9-10)13(14,15)16;/h5-7,9,12H,2-4,8,17H2,1H3;1H/t12-;/m1./s1
InChIKeyQHIJPHLBWUUING-UTONKHPSSA-N
MW281.75 g/mol
LogP4.71
Rot. Bonds5

About (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride

(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride (PubChem CID 171206800) has the molecular formula C13H19ClF3N and a molecular weight of 281.75 g/mol. Its IUPAC name is (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
PubChem CID171206800
Molecular FormulaC13H19ClF3N
Molecular Weight281.75 g/mol
Exact Mass281.12
IUPAC Name(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H18F3N.ClH/c1-2-3-4-8-12(17)10-6-5-7-11(9-10)13(14,15)16;/h5-7,9,12H,2-4,8,17H2,1H3;1H/t12-;/m1./s1
InChIKeyQHIJPHLBWUUING-UTONKHPSSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
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CID 171226401
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
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CID 63414431
(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
CID 171231590
1-N'-[3-(trifluoromethyl)phenyl]hexane-1,1-diamine;dihydrochloride
CID 70300182
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
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CID 171219101

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride (CID 171206800) is (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
The InChIKey is QHIJPHLBWUUING-UTONKHPSSA-N. The full InChI is InChI=1S/C13H18F3N.ClH/c1-2-3-4-8-12(17)10-6-5-7-11(9-10)13(14,15)16;/h5-7,9,12H,2-4,8,17H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride?
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride has a molecular weight of 281.75 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride is sourced from PubChem (CID 171206800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).