6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C22H20ClF3N2O2 — CID 86605106

IUPAC6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C22H20ClF3N2O2/c1-29-17-7-3-15(4-8-17)13-28(14-16-5-9-18(30-2)10-6-16)20-12-11-19(21(23)27-20)22(24,25)26/h3-12H,13-14H2,1-2H3
InChIKeyGUYGXNUDZQFEOV-UHFFFAOYSA-N
MW436.86 g/mol
LogP5.98
Rot. Bonds7

About 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 86605106) has the molecular formula C22H20ClF3N2O2 and a molecular weight of 436.86 g/mol. Its IUPAC name is 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID86605106
Molecular FormulaC22H20ClF3N2O2
Molecular Weight436.86 g/mol
Exact Mass436.12
IUPAC Name6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C22H20ClF3N2O2/c1-29-17-7-3-15(4-8-17)13-28(14-16-5-9-18(30-2)10-6-16)20-12-11-19(21(23)27-20)22(24,25)26/h3-12H,13-14H2,1-2H3
InChIKeyGUYGXNUDZQFEOV-UHFFFAOYSA-N
XLogP5.98
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.86
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 86605106) is 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GUYGXNUDZQFEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O2/c1-29-17-7-3-15(4-8-17)13-28(14-16-5-9-18(30-2)10-6-16)20-12-11-19(21(23)27-20)22(24,25)26/h3-12H,13-14H2,1-2H3.
What are the key properties of 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 436.86 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86605106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).