(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

C13H17ClF3NO2 — CID 171216573

IUPAC(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
SMILESCOc1cc(OC(F)(F)F)ccc1[C@H](N)CC1CC1.Cl
InChIInChI=1S/C13H16F3NO2.ClH/c1-18-12-7-9(19-13(14,15)16)4-5-10(12)11(17)6-8-2-3-8;/h4-5,7-8,11H,2-3,6,17H2,1H3;1H/t11-;/m1./s1
InChIKeyRYMTZGNQUNCYRQ-RFVHGSKJSA-N
MW311.73 g/mol
LogP3.82
Rot. Bonds5

About (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride

(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 171216573) has the molecular formula C13H17ClF3NO2 and a molecular weight of 311.73 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
PubChem CID171216573
Molecular FormulaC13H17ClF3NO2
Molecular Weight311.73 g/mol
Exact Mass311.09
IUPAC Name(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
SMILESCOc1cc(OC(F)(F)F)ccc1[C@H](N)CC1CC1.Cl
InChIInChI=1S/C13H16F3NO2.ClH/c1-18-12-7-9(19-13(14,15)16)4-5-10(12)11(17)6-8-2-3-8;/h4-5,7-8,11H,2-3,6,17H2,1H3;1H/t11-;/m1./s1
InChIKeyRYMTZGNQUNCYRQ-RFVHGSKJSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine
CID 171216572
(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171236237
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171236205
(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
CID 171216586
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171216555
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171236189
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171227730
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171266272
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol
CID 171266271
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251915

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride (CID 171216573) is (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride is COc1cc(OC(F)(F)F)ccc1[C@H](N)CC1CC1.Cl.
What is the InChIKey of (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is RYMTZGNQUNCYRQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H16F3NO2.ClH/c1-18-12-7-9(19-13(14,15)16)4-5-10(12)11(17)6-8-2-3-8;/h4-5,7-8,11H,2-3,6,17H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride?
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171216573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).