(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine

C14H17F2N3O — CID 95582635

IUPAC(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CN[C@H](C)COc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-9(17-6-11-7-18-19-10(11)2)8-20-14-4-3-12(15)5-13(14)16/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyIOFYETUVQLQDHF-SECBINFHSA-N
MW281.31 g/mol
LogP2.55
Rot. Bonds6

About (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine

(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 95582635) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID95582635
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CN[C@H](C)COc1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3O/c1-9(17-6-11-7-18-19-10(11)2)8-20-14-4-3-12(15)5-13(14)16/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyIOFYETUVQLQDHF-SECBINFHSA-N
XLogP2.55
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 95582635) is (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1[nH]ncc1CN[C@H](C)COc1ccc(F)cc1F.
What is the InChIKey of (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is IOFYETUVQLQDHF-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-9(17-6-11-7-18-19-10(11)2)8-20-14-4-3-12(15)5-13(14)16/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 95582635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).