N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine

C20H23F3N2O2 — CID 133272777

IUPACN-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(C)cc1C1(CNc2ncccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C20H23F3N2O2/c1-14-5-6-17(26-2)16(12-14)19(7-10-27-11-8-19)13-25-18-15(20(21,22)23)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,24,25)
InChIKeySEBZLTHAOBDMPC-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.58
Rot. Bonds5

About N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 133272777) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID133272777
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(C)cc1C1(CNc2ncccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C20H23F3N2O2/c1-14-5-6-17(26-2)16(12-14)19(7-10-27-11-8-19)13-25-18-15(20(21,22)23)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,24,25)
InChIKeySEBZLTHAOBDMPC-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 133272789
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 51125575
4-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-4-carboxylic acid
CID 115292205
2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-methyl-5-nitrobenzamide
CID 86839628
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740061
(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide
CID 52503767
3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86783814
1-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315720
N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 56581671
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 86839334
cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124686138
1-ethyl-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111191642

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 133272777) is N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine is COc1ccc(C)cc1C1(CNc2ncccc2C(F)(F)F)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SEBZLTHAOBDMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-14-5-6-17(26-2)16(12-14)19(7-10-27-11-8-19)13-25-18-15(20(21,22)23)4-3-9-24-18/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,24,25).
What are the key properties of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 380.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133272777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).