N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine

C17H19F3N2O — CID 86814236

IUPACN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine
SMILESCC(C)C(NCc1ccc(OC(F)F)c(F)c1)c1ccncc1
InChIInChI=1S/C17H19F3N2O/c1-11(2)16(13-5-7-21-8-6-13)22-10-12-3-4-15(14(18)9-12)23-17(19)20/h3-9,11,16-17,22H,10H2,1-2H3
InChIKeySDASODUVCFULLE-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.31
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine

N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine (PubChem CID 86814236) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine
PubChem CID86814236
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine
SMILESCC(C)C(NCc1ccc(OC(F)F)c(F)c1)c1ccncc1
InChIInChI=1S/C17H19F3N2O/c1-11(2)16(13-5-7-21-8-6-13)22-10-12-3-4-15(14(18)9-12)23-17(19)20/h3-9,11,16-17,22H,10H2,1-2H3
InChIKeySDASODUVCFULLE-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
CID 97242263
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
3-[1-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]ethyl]benzonitrile
CID 75388921
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
methyl (3S)-3-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-3-pyridin-4-ylbutanoate
CID 99788176
methyl 3-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-3-pyridin-4-ylbutanoate
CID 91649941
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134121
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine
CID 115876396
1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910574
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine (CID 86814236) is N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine is CC(C)C(NCc1ccc(OC(F)F)c(F)c1)c1ccncc1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is SDASODUVCFULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-11(2)16(13-5-7-21-8-6-13)22-10-12-3-4-15(14(18)9-12)23-17(19)20/h3-9,11,16-17,22H,10H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine?
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 324.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 86814236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).