[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride

C15H15ClF3NO2 — CID 171037282

IUPAC[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1CN.Cl
InChIInChI=1S/C15H14F3NO2.ClH/c1-20-14-6-5-11(7-12(14)9-19)10-3-2-4-13(8-10)21-15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyHKUWTQWFPOQKSC-UHFFFAOYSA-N
MW333.74 g/mol
LogP4.14
Rot. Bonds4

About [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride

[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 171037282) has the molecular formula C15H15ClF3NO2 and a molecular weight of 333.74 g/mol. Its IUPAC name is [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
PubChem CID171037282
Molecular FormulaC15H15ClF3NO2
Molecular Weight333.74 g/mol
Exact Mass333.07
IUPAC Name[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1CN.Cl
InChIInChI=1S/C15H14F3NO2.ClH/c1-20-14-6-5-11(7-12(14)9-19)10-3-2-4-13(8-10)21-15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyHKUWTQWFPOQKSC-UHFFFAOYSA-N
XLogP4.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
CID 163408376
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride (CID 171037282) is [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride is COc1ccc(-c2cccc(OC(F)(F)F)c2)cc1CN.Cl.
What is the InChIKey of [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is HKUWTQWFPOQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2.ClH/c1-20-14-6-5-11(7-12(14)9-19)10-3-2-4-13(8-10)21-15(16,17)18;/h2-8H,9,19H2,1H3;1H.
What are the key properties of [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 333.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171037282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).