N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C19H22F3N3O2 — CID 154942877

IUPACN-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(N3CCOC(C)C3)n2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-13-12-25(7-8-27-13)18-10-15(19(20,21)22)9-17(24-18)23-11-14-3-5-16(26-2)6-4-14/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,24)
InChIKeyXVOKQUJZCWLUQZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 154942877) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID154942877
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(N3CCOC(C)C3)n2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-13-12-25(7-8-27-13)18-10-15(19(20,21)22)9-17(24-18)23-11-14-3-5-16(26-2)6-4-14/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,24)
InChIKeyXVOKQUJZCWLUQZ-UHFFFAOYSA-N
XLogP3.95
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 154942877) is N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is COc1ccc(CNc2cc(C(F)(F)F)cc(N3CCOC(C)C3)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XVOKQUJZCWLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13-12-25(7-8-27-13)18-10-15(19(20,21)22)9-17(24-18)23-11-14-3-5-16(26-2)6-4-14/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 381.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 154942877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).