N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline

C14H13F3N2O — CID 79267587

IUPACN-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline
SMILESCc1cccc(CNc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O/c1-10-3-2-4-12(19-10)9-18-11-5-7-13(8-6-11)20-14(15,16)17/h2-8,18H,9H2,1H3
InChIKeyZWQHBMASCTZIRS-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.90
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline

N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline (PubChem CID 79267587) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline
PubChem CID79267587
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline
SMILESCc1cccc(CNc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N2O/c1-10-3-2-4-12(19-10)9-18-11-5-7-13(8-6-11)20-14(15,16)17/h2-8,18H,9H2,1H3
InChIKeyZWQHBMASCTZIRS-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
N-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 30055205
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 60972691
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
3-[[4-(trifluoromethoxy)anilino]methyl]benzene-1,2-diol
CID 61318857
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43644812
3-[(6-methyl-2-pyridinyl)methyl]-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 175650281
3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
CID 62323012
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79268037

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline (CID 79267587) is N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline is Cc1cccc(CNc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline?
The InChIKey is ZWQHBMASCTZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-10-3-2-4-12(19-10)9-18-11-5-7-13(8-6-11)20-14(15,16)17/h2-8,18H,9H2,1H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline?
N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline has a molecular weight of 282.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 79267587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).