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

C29H28F2N2O2 — CID 166117106

IUPACN-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESCCC(F)(F)Cc1ccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C29H28F2N2O2/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/h3-18,32H,2,19-21H2,1H3
InChIKeyFTCZBGFLPWQSTM-UHFFFAOYSA-N
MW474.55 g/mol
LogP7.57
Rot. Bonds11

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

N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine (PubChem CID 166117106) has the molecular formula C29H28F2N2O2 and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
PubChem CID166117106
Molecular FormulaC29H28F2N2O2
Molecular Weight474.55 g/mol
Exact Mass474.21
IUPAC NameN-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESCCC(F)(F)Cc1ccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C29H28F2N2O2/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/h3-18,32H,2,19-21H2,1H3
InChIKeyFTCZBGFLPWQSTM-UHFFFAOYSA-N
XLogP7.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.55
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluorobutylbenzene
CID 12695736
7-[4-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-2-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonan-2-one
CID 177209220
N-(4-bromo-2-nitro-3-phenylmethoxyphenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine
CID 177010398
tert-butyl 4-[3-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]phenyl]piperazine-1-carboxylate
CID 170625591
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
tert-butyl 4-[6-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 178100422
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
CID 168874664
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
CID 67312149
benzyl N-[7-[[1-[4-[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]phenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 167463371
methyl 2-[[[2,6-bis(phenylmethoxy)-3-pyridinyl]amino]methyl]-4-bromo-5-fluorobenzoate
CID 170708502

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The IUPAC name of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine (CID 166117106) is N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine.
What is the SMILES notation for N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The canonical SMILES for N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine is CCC(F)(F)Cc1ccc(Nc2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.
What is the InChIKey of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The InChIKey is FTCZBGFLPWQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N2O2/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/h3-18,32H,2,19-21H2,1H3.
What are the key properties of N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
N-[4-(2,2-difluorobutyl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine has a molecular weight of 474.55 g/mol, XLogP of 7.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 166117106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).