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

C17H19F3N2O — CID 97242263

IUPAC(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCC(C)[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1
InChIInChI=1S/C17H19F3N2O/c1-11(2)16(14-5-3-4-8-21-14)22-10-12-6-7-15(13(18)9-12)23-17(19)20/h3-9,11,16-17,22H,10H2,1-2H3/t16-/m1/s1
InChIKeyLMPVAGMMIDOACK-MRXNPFEDSA-N
MW324.35 g/mol
LogP4.31
Rot. Bonds7

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

(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine (PubChem CID 97242263) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
PubChem CID97242263
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCC(C)[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1
InChIInChI=1S/C17H19F3N2O/c1-11(2)16(14-5-3-4-8-21-14)22-10-12-6-7-15(13(18)9-12)23-17(19)20/h3-9,11,16-17,22H,10H2,1-2H3/t16-/m1/s1
InChIKeyLMPVAGMMIDOACK-MRXNPFEDSA-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

N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 86814236
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 81392405
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
3-[1-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]ethyl]benzonitrile
CID 75388921
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 86793882
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine (CID 97242263) is (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine is CC(C)[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1.
What is the InChIKey of (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
The InChIKey is LMPVAGMMIDOACK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-11(2)16(14-5-3-4-8-21-14)22-10-12-6-7-15(13(18)9-12)23-17(19)20/h3-9,11,16-17,22H,10H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-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 (1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 97242263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).