N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane

C34H40F2N2O3 — CID 166117105

IUPACN-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane
SMILESCCC(F)(F)Cc1ccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.COC(C)(C)C
InChIInChI=1S/C29H28F2N2O2.C5H12O/c1-2-29(30,31)19-22-13-15-25(16-14-22)32-26-17-18-27(34-20-23-9-5-3-6-10-23)33-28(26)35-21-24-11-7-4-8-12-24;1-5(2,3)6-4/h3-18,32H,2,19-21H2,1H3;1-4H3
InChIKeyBVNHEHXKBLATQH-UHFFFAOYSA-N
MW562.70 g/mol
LogP9.00
Rot. Bonds11

About N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane

N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane (PubChem CID 166117105) has the molecular formula C34H40F2N2O3 and a molecular weight of 562.70 g/mol. Its IUPAC name is N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane.

Molecular Properties

Compound NameN-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane
PubChem CID166117105
Molecular FormulaC34H40F2N2O3
Molecular Weight562.70 g/mol
Exact Mass562.30
IUPAC NameN-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane
SMILESCCC(F)(F)Cc1ccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.COC(C)(C)C
InChIInChI=1S/C29H28F2N2O2.C5H12O/c1-2-29(30,31)19-22-13-15-25(16-14-22)32-26-17-18-27(34-20-23-9-5-3-6-10-23)33-28(26)35-21-24-11-7-4-8-12-24;1-5(2,3)6-4/h3-18,32H,2,19-21H2,1H3;1-4H3
InChIKeyBVNHEHXKBLATQH-UHFFFAOYSA-N
XLogP9.00
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.70
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane with MolForge

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Related Compounds

[3-[3-[(5-Amino-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methanol
CID 137517851
1-[2-(2-Tert-butylphenoxy)-6-methoxypyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11648569
1-[6-Methoxy-2-(2-propylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68527953
1-[2-(2-Butan-2-ylphenoxy)-6-methoxypyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68533412
6-Methoxy-2-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 115321085
4-[6-methoxy-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-N-methylaniline
CID 144191589
tert-butyl 4-[4-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-2-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156505562
tert-butyl 4-[4-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156505723
Methyl 2-[1-[4-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-2,6-difluorophenyl]piperidin-4-yl]acetate
CID 156505843
tert-butyl 4-[4-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-2-(difluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156505906
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluoro-N-propylaniline
CID 156515966
N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
CID 156516024

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane?
The IUPAC name of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane (CID 166117105) is N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane.
What is the SMILES notation for N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane?
The canonical SMILES for N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane is CCC(F)(F)Cc1ccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.COC(C)(C)C.
What is the InChIKey of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane?
The InChIKey is BVNHEHXKBLATQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N2O2.C5H12O/c1-2-29(30,31)19-22-13-15-25(16-14-22)32-26-17-18-27(34-20-23-9-5-3-6-10-23)33-28(26)35-21-24-11-7-4-8-12-24;1-5(2,3)6-4/h3-18,32H,2,19-21H2,1H3;1-4H3.
What are the key properties of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane?
N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane has a molecular weight of 562.70 g/mol, XLogP of 9.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine;2-methoxy-2-methylpropane is sourced from PubChem (CID 166117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).