3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride

C8H9ClF3NO2 — CID 171365357

IUPAC3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
SMILESCl.NCc1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2.ClH/c9-8(10,11)14-7-2-5(4-12)1-6(13)3-7;/h1-3,13H,4,12H2;1H
InChIKeyKMIZAZIFTOEMNU-UHFFFAOYSA-N
MW243.61 g/mol
LogP2.17
Rot. Bonds2

About 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride

3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride (PubChem CID 171365357) has the molecular formula C8H9ClF3NO2 and a molecular weight of 243.61 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
PubChem CID171365357
Molecular FormulaC8H9ClF3NO2
Molecular Weight243.61 g/mol
Exact Mass243.03
IUPAC Name3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
SMILESCl.NCc1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2.ClH/c9-8(10,11)14-7-2-5(4-12)1-6(13)3-7;/h1-3,13H,4,12H2;1H
InChIKeyKMIZAZIFTOEMNU-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.61
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997161
[3-(cyclopropylmethyl)-5-(trifluoromethoxy)phenyl]methanamine
CID 151449542
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
tert-butyl N-[[3-hydroxy-5-(trifluoromethoxy)phenyl]methyl]carbamate
CID 171365356
CID 167396186
CID 167396186
2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
CID 170887317
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
3-propan-2-yl-5-(trifluoromethoxy)phenol
CID 170367296
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine
CID 90212514
[3-bromo-5-(trifluoromethoxy)phenyl]methyl carbamate
CID 175168242

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride?
The IUPAC name of 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride (CID 171365357) is 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride is Cl.NCc1cc(O)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride?
The InChIKey is KMIZAZIFTOEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2.ClH/c9-8(10,11)14-7-2-5(4-12)1-6(13)3-7;/h1-3,13H,4,12H2;1H.
What are the key properties of 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride?
3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride has a molecular weight of 243.61 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride is sourced from PubChem (CID 171365357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).