N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine

C16H22FN3O — CID 116802111

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(Oc2ccc(F)cc2CNC(C)(C)C)cn1
InChIInChI=1S/C16H22FN3O/c1-5-20-11-14(10-19-20)21-15-7-6-13(17)8-12(15)9-18-16(2,3)4/h6-8,10-11,18H,5,9H2,1-4H3
InChIKeyMJEQZXMEYBALSJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.72
Rot. Bonds5

About N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 116802111) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID116802111
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(Oc2ccc(F)cc2CNC(C)(C)C)cn1
InChIInChI=1S/C16H22FN3O/c1-5-20-11-14(10-19-20)21-15-7-6-13(17)8-12(15)9-18-16(2,3)4/h6-8,10-11,18H,5,9H2,1-4H3
InChIKeyMJEQZXMEYBALSJ-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802810
N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125
N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552758
N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802121
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802838
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 116802111) is N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine is CCn1cc(Oc2ccc(F)cc2CNC(C)(C)C)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MJEQZXMEYBALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-20-11-14(10-19-20)21-15-7-6-13(17)8-12(15)9-18-16(2,3)4/h6-8,10-11,18H,5,9H2,1-4H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116802111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).