2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride

C14H19ClF3NO — CID 171258089

IUPAC2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
SMILESCl.N[C@@H](c1cc(C(F)(F)F)ccc1O)C1CCCCC1
InChIInChI=1S/C14H18F3NO.ClH/c15-14(16,17)10-6-7-12(19)11(8-10)13(18)9-4-2-1-3-5-9;/h6-9,13,19H,1-5,18H2;1H/t13-;/m1./s1
InChIKeyHDYVVFATVGOBNZ-BTQNPOSSSA-N
MW309.76 g/mol
LogP4.41
Rot. Bonds2

About 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride

2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride (PubChem CID 171258089) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
PubChem CID171258089
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
SMILESCl.N[C@@H](c1cc(C(F)(F)F)ccc1O)C1CCCCC1
InChIInChI=1S/C14H18F3NO.ClH/c15-14(16,17)10-6-7-12(19)11(8-10)13(18)9-4-2-1-3-5-9;/h6-9,13,19H,1-5,18H2;1H/t13-;/m1./s1
InChIKeyHDYVVFATVGOBNZ-BTQNPOSSSA-N
XLogP4.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
2-[(S)-amino(cyclohexyl)methyl]-4-(trifluoromethylsulfanyl)phenol;hydrochloride
CID 171255592
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210144
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(S)-[2,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171228434
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride (CID 171258089) is 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride is Cl.N[C@@H](c1cc(C(F)(F)F)ccc1O)C1CCCCC1.
What is the InChIKey of 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride?
The InChIKey is HDYVVFATVGOBNZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18F3NO.ClH/c15-14(16,17)10-6-7-12(19)11(8-10)13(18)9-4-2-1-3-5-9;/h6-9,13,19H,1-5,18H2;1H/t13-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride?
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride is sourced from PubChem (CID 171258089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).