2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride

C13H17ClF3NO2 — CID 171210144

IUPAC2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
SMILESCl.N[C@@H](c1cc(OC(F)(F)F)ccc1O)C1CCCC1
InChIInChI=1S/C13H16F3NO2.ClH/c14-13(15,16)19-9-5-6-11(18)10(7-9)12(17)8-3-1-2-4-8;/h5-8,12,18H,1-4,17H2;1H/t12-;/m1./s1
InChIKeyMTHVGDUEGGEYAK-UTONKHPSSA-N
MW311.73 g/mol
LogP3.90
Rot. Bonds3

About 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride

2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride (PubChem CID 171210144) has the molecular formula C13H17ClF3NO2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
PubChem CID171210144
Molecular FormulaC13H17ClF3NO2
Molecular Weight311.73 g/mol
Exact Mass311.09
IUPAC Name2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
SMILESCl.N[C@@H](c1cc(OC(F)(F)F)ccc1O)C1CCCC1
InChIInChI=1S/C13H16F3NO2.ClH/c14-13(15,16)19-9-5-6-11(18)10(7-9)12(17)8-3-1-2-4-8;/h5-8,12,18H,1-4,17H2;1H/t12-;/m1./s1
InChIKeyMTHVGDUEGGEYAK-UTONKHPSSA-N
XLogP3.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171269839
2-[(S)-amino(cyclobutyl)methyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171233674
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol
CID 171264157
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
CID 171216586
2-[(S)-amino(cyclohexyl)methyl]-4-(trifluoromethylsulfanyl)phenol;hydrochloride
CID 171255592
2-[(1R)-1-amino-3-fluoropropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210138
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-(trifluoromethoxy)phenol
CID 171243087
2-[(1S)-1-amino-3-hydroxypropyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171229770
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride (CID 171210144) is 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride is Cl.N[C@@H](c1cc(OC(F)(F)F)ccc1O)C1CCCC1.
What is the InChIKey of 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride?
The InChIKey is MTHVGDUEGGEYAK-UTONKHPSSA-N. The full InChI is InChI=1S/C13H16F3NO2.ClH/c14-13(15,16)19-9-5-6-11(18)10(7-9)12(17)8-3-1-2-4-8;/h5-8,12,18H,1-4,17H2;1H/t12-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride?
2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride is sourced from PubChem (CID 171210144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).