2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine

C11H14F3NO2 — CID 90212514

IUPAC2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine
SMILESCc1cc(COCCN)cc(OC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-8-4-9(7-16-3-2-15)6-10(5-8)17-11(12,13)14/h4-6H,2-3,7,15H2,1H3
InChIKeyWSXRJFWNMUMMKQ-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.37
Rot. Bonds5

About 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine

2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine (PubChem CID 90212514) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine
PubChem CID90212514
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine
SMILESCc1cc(COCCN)cc(OC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-8-4-9(7-16-3-2-15)6-10(5-8)17-11(12,13)14/h4-6H,2-3,7,15H2,1H3
InChIKeyWSXRJFWNMUMMKQ-UHFFFAOYSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene
CID 21060139
N,N-dimethyl-3-[3-methyl-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 170866091
4-[3-methyl-5-(trifluoromethoxy)phenyl]pentan-1-amine
CID 90212710
4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 118600979
3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
CID 171365357
[3-methyl-5-(trifluoromethoxy)phenyl]thiourea
CID 169357163
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
CID 70124527
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
3-methyl-5-(trifluoromethoxy)benzonitrile
CID 21412932
2-[[3-methylsulfanyl-5-(trifluoromethoxy)phenyl]methoxy]propan-1-amine
CID 123328154
ethane;2-phenylmethoxyethanamine
CID 142016503
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine?
The IUPAC name of 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine (CID 90212514) is 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine.
What is the SMILES notation for 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine?
The canonical SMILES for 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine is Cc1cc(COCCN)cc(OC(F)(F)F)c1.
What is the InChIKey of 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine?
The InChIKey is WSXRJFWNMUMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-8-4-9(7-16-3-2-15)6-10(5-8)17-11(12,13)14/h4-6H,2-3,7,15H2,1H3.
What are the key properties of 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine?
2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine has a molecular weight of 249.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]ethanamine is sourced from PubChem (CID 90212514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).