4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline

C14H17F3N2O — CID 114490097

IUPAC4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
SMILESCOc1ccc(N)c(CN2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F3N2O/c1-20-12-2-3-13(18)10(8-12)9-19-6-4-11(5-7-19)14(15,16)17/h2-4,8H,5-7,9,18H2,1H3
InChIKeyBWHZNPGRTGDRBE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.97
Rot. Bonds3

About 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline

4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline (PubChem CID 114490097) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
PubChem CID114490097
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
SMILESCOc1ccc(N)c(CN2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F3N2O/c1-20-12-2-3-13(18)10(8-12)9-19-6-4-11(5-7-19)14(15,16)17/h2-4,8H,5-7,9,18H2,1H3
InChIKeyBWHZNPGRTGDRBE-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 113305258
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489692
4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline
CID 114489526
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-yl]methanamine
CID 114490715
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
The IUPAC name of 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline (CID 114490097) is 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline is COc1ccc(N)c(CN2CC=C(C(F)(F)F)CC2)c1.
What is the InChIKey of 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
The InChIKey is BWHZNPGRTGDRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-20-12-2-3-13(18)10(8-12)9-19-6-4-11(5-7-19)14(15,16)17/h2-4,8H,5-7,9,18H2,1H3.
What are the key properties of 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline?
4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline has a molecular weight of 286.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline is sourced from PubChem (CID 114490097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).