N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine

C22H22F2N2O2 — CID 22391576

IUPACN-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(OC(F)F)c(-c3cccnc3)c2)c1
InChIInChI=1S/C22H22F2N2O2/c1-15(17-5-3-7-19(12-17)27-2)26-13-16-8-9-21(28-22(23)24)20(11-16)18-6-4-10-25-14-18/h3-12,14-15,22,26H,13H2,1-2H3
InChIKeySJDRCMZXABNNQD-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.21
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine

N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 22391576) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID22391576
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC NameN-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(OC(F)F)c(-c3cccnc3)c2)c1
InChIInChI=1S/C22H22F2N2O2/c1-15(17-5-3-7-19(12-17)27-2)26-13-16-8-9-21(28-22(23)24)20(11-16)18-6-4-10-25-14-18/h3-12,14-15,22,26H,13H2,1-2H3
InChIKeySJDRCMZXABNNQD-UHFFFAOYSA-N
XLogP5.21
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 22391576) is N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2ccc(OC(F)F)c(-c3cccnc3)c2)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SJDRCMZXABNNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-15(17-5-3-7-19(12-17)27-2)26-13-16-8-9-21(28-22(23)24)20(11-16)18-6-4-10-25-14-18/h3-12,14-15,22,26H,13H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine?
N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 384.43 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 22391576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).