(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride

C12H14Cl2F3N — CID 171215301

IUPAC(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3N.ClH/c13-10-5-8(11(17)3-7-1-2-7)4-9(6-10)12(14,15)16;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1
InChIKeyHZOUZWNMOCVVJW-RFVHGSKJSA-N
MW300.15 g/mol
LogP4.58
Rot. Bonds3

About (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride

(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride (PubChem CID 171215301) has the molecular formula C12H14Cl2F3N and a molecular weight of 300.15 g/mol. Its IUPAC name is (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
PubChem CID171215301
Molecular FormulaC12H14Cl2F3N
Molecular Weight300.15 g/mol
Exact Mass299.05
IUPAC Name(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3N.ClH/c13-10-5-8(11(17)3-7-1-2-7)4-9(6-10)12(14,15)16;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1
InChIKeyHZOUZWNMOCVVJW-RFVHGSKJSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
CID 115847384
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961
1-chloro-3-(dicyclopropylmethyl)-5-(trifluoromethyl)benzene
CID 57065599
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride (CID 171215301) is (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride?
The InChIKey is HZOUZWNMOCVVJW-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H13ClF3N.ClH/c13-10-5-8(11(17)3-7-1-2-7)4-9(6-10)12(14,15)16;/h4-7,11H,1-3,17H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride?
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride has a molecular weight of 300.15 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-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171215301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).