6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine

C22H22F2N2O2 — CID 170357019

IUPAC6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cccc(C(F)F)n2)cc1
InChIInChI=1S/C22H22F2N2O2/c1-27-18-10-6-16(7-11-18)14-26(15-17-8-12-19(28-2)13-9-17)21-5-3-4-20(25-21)22(23)24/h3-13,22H,14-15H2,1-2H3
InChIKeyWUFHAUXOQWHBIY-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.24
Rot. Bonds8

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

6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 170357019) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID170357019
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cccc(C(F)F)n2)cc1
InChIInChI=1S/C22H22F2N2O2/c1-27-18-10-6-16(7-11-18)14-26(15-17-8-12-19(28-2)13-9-17)21-5-3-4-20(25-21)22(23)24/h3-13,22H,14-15H2,1-2H3
InChIKeyWUFHAUXOQWHBIY-UHFFFAOYSA-N
XLogP5.24
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
CID 110174431
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170704626
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848
5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908191
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 170357019) is 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cccc(C(F)F)n2)cc1.
What is the InChIKey of 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is WUFHAUXOQWHBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-27-18-10-6-16(7-11-18)14-26(15-17-8-12-19(28-2)13-9-17)21-5-3-4-20(25-21)22(23)24/h3-13,22H,14-15H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 384.43 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 170357019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).