5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine

C19H23F3N2O — CID 14942339

IUPAC5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCOc1ccc(-c2ccc(N(C)C(F)(F)F)nc2)cc1
InChIInChI=1S/C19H23F3N2O/c1-3-4-5-6-13-25-17-10-7-15(8-11-17)16-9-12-18(23-14-16)24(2)19(20,21)22/h7-12,14H,3-6,13H2,1-2H3
InChIKeyCHRKFQUNKFCVKR-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.66
Rot. Bonds8

About 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine

5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine (PubChem CID 14942339) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine
PubChem CID14942339
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCOc1ccc(-c2ccc(N(C)C(F)(F)F)nc2)cc1
InChIInChI=1S/C19H23F3N2O/c1-3-4-5-6-13-25-17-10-7-15(8-11-17)16-9-12-18(23-14-16)24(2)19(20,21)22/h7-12,14H,3-6,13H2,1-2H3
InChIKeyCHRKFQUNKFCVKR-UHFFFAOYSA-N
XLogP5.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
CID 19765813
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
1-octoxy-4-(4-octoxyphenyl)-2-(trifluoromethyl)benzene
CID 139992979
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methylheptanoate
CID 15745204
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-octoxyphenyl)pyridine
CID 90176946
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine (CID 14942339) is 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine is CCCCCCOc1ccc(-c2ccc(N(C)C(F)(F)F)nc2)cc1.
What is the InChIKey of 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CHRKFQUNKFCVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-3-4-5-6-13-25-17-10-7-15(8-11-17)16-9-12-18(23-14-16)24(2)19(20,21)22/h7-12,14H,3-6,13H2,1-2H3.
What are the key properties of 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine?
5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 14942339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).