[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine

C10H9F6NO — CID 134617609

IUPAC[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(CN)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F6NO/c1-18-6-2-5(4-17)8(10(14,15)16)7(3-6)9(11,12)13/h2-3H,4,17H2,1H3
InChIKeyWYCDYQBTOYCNQP-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.19
Rot. Bonds2

About [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine

[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine (PubChem CID 134617609) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine
PubChem CID134617609
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(CN)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F6NO/c1-18-6-2-5(4-17)8(10(14,15)16)7(3-6)9(11,12)13/h2-3H,4,17H2,1H3
InChIKeyWYCDYQBTOYCNQP-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-4-methoxy-6-(trifluoromethyl)phenyl]methanamine
CID 171021002
5-methoxy-2,3-bis(trifluoromethyl)benzamide
CID 118854542
[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 122198441
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
[4-methoxy-2-nitro-6-(trifluoromethyl)phenyl]methanamine
CID 171019086
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
[4-methoxy-2-(trifluoromethyl)phenyl]methanethiol
CID 162580315
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
3-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84807388
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine (CID 134617609) is [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine is COc1cc(CN)c(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine?
The InChIKey is WYCDYQBTOYCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-18-6-2-5(4-17)8(10(14,15)16)7(3-6)9(11,12)13/h2-3H,4,17H2,1H3.
What are the key properties of [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine?
[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine has a molecular weight of 273.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134617609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).