[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine

C14H13F3N2O — CID 63889622

IUPAC[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-2-4-13(12)20-9-10-5-6-19-11(7-10)8-18/h1-7H,8-9,18H2
InChIKeyHKWFAKDNFBHTLH-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.14
Rot. Bonds4

About [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine

[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine (PubChem CID 63889622) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
PubChem CID63889622
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
SMILESNCc1cc(COc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-2-4-13(12)20-9-10-5-6-19-11(7-10)8-18/h1-7H,8-9,18H2
InChIKeyHKWFAKDNFBHTLH-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 55077539
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine (CID 63889622) is [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine is NCc1cc(COc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
The InChIKey is HKWFAKDNFBHTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-2-4-13(12)20-9-10-5-6-19-11(7-10)8-18/h1-7H,8-9,18H2.
What are the key properties of [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine has a molecular weight of 282.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63889622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).