(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride

C11H14Cl2F3N — CID 171207579

IUPAC(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F.Cl
InChIInChI=1S/C11H13ClF3N.ClH/c1-2-4-9(16)10-7(11(13,14)15)5-3-6-8(10)12;/h3,5-6,9H,2,4,16H2,1H3;1H/t9-;/m1./s1
InChIKeyIXDRATUKQISBEQ-SBSPUUFOSA-N
MW288.14 g/mol
LogP4.58
Rot. Bonds3

About (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride

(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (PubChem CID 171207579) has the molecular formula C11H14Cl2F3N and a molecular weight of 288.14 g/mol. Its IUPAC name is (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
PubChem CID171207579
Molecular FormulaC11H14Cl2F3N
Molecular Weight288.14 g/mol
Exact Mass287.05
IUPAC Name(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F.Cl
InChIInChI=1S/C11H13ClF3N.ClH/c1-2-4-9(16)10-7(11(13,14)15)5-3-6-8(10)12;/h3,5-6,9H,2,4,16H2,1H3;1H/t9-;/m1./s1
InChIKeyIXDRATUKQISBEQ-SBSPUUFOSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227154
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1S)-1-(2-chloro-6-methylphenyl)butan-1-amine
CID 131080985
2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
CID 131992955
2-[2-chloro-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117347970
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207522
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (CID 171207579) is (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is CCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F.Cl.
What is the InChIKey of (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The InChIKey is IXDRATUKQISBEQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H13ClF3N.ClH/c1-2-4-9(16)10-7(11(13,14)15)5-3-6-8(10)12;/h3,5-6,9H,2,4,16H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride has a molecular weight of 288.14 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 171207579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).