4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline

C25H20F2N2O2 — CID 168874664

IUPAC4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
SMILESNc1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c(F)c1
InChIInChI=1S/C25H20F2N2O2/c26-21-13-19(28)14-22(27)24(21)20-11-12-23(30-15-17-7-3-1-4-8-17)29-25(20)31-16-18-9-5-2-6-10-18/h1-14H,15-16,28H2
InChIKeyMKYILDQNPWCDQK-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.77
Rot. Bonds7

About 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline

4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline (PubChem CID 168874664) has the molecular formula C25H20F2N2O2 and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline.

Molecular Properties

Compound Name4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
PubChem CID168874664
Molecular FormulaC25H20F2N2O2
Molecular Weight418.44 g/mol
Exact Mass418.15
IUPAC Name4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
SMILESNc1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c(F)c1
InChIInChI=1S/C25H20F2N2O2/c26-21-13-19(28)14-22(27)24(21)20-11-12-23(30-15-17-7-3-1-4-8-17)29-25(20)31-16-18-9-5-2-6-10-18/h1-14H,15-16,28H2
InChIKeyMKYILDQNPWCDQK-UHFFFAOYSA-N
XLogP5.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-difluoro-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2,6-bis(phenylmethoxy)pyridine
CID 168874490
3-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoro-N-methylanilino]cyclobutane-1-carboxylic acid
CID 171586591
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine
CID 170321835
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
CID 170979866
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
3-(6-chloro-1-benzothiophen-3-yl)-2,6-bis(phenylmethoxy)pyridine
CID 177056978
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
CID 167474815
tert-butyl 4-[3-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroanilino]cyclobutyl]piperazine-1-carboxylate
CID 170185726
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
6-phenylmethoxypyridine-2,3-diamine
CID 67311804

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline?
The IUPAC name of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline (CID 168874664) is 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline.
What is the SMILES notation for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline?
The canonical SMILES for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline is Nc1cc(F)c(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c(F)c1.
What is the InChIKey of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline?
The InChIKey is MKYILDQNPWCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O2/c26-21-13-19(28)14-22(27)24(21)20-11-12-23(30-15-17-7-3-1-4-8-17)29-25(20)31-16-18-9-5-2-6-10-18/h1-14H,15-16,28H2.
What are the key properties of 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline?
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline has a molecular weight of 418.44 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline is sourced from PubChem (CID 168874664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).