1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C14H18FN3O — CID 82885094

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2ccnn2C)ccc1F
InChIInChI=1S/C14H18FN3O/c1-10(16-9-12-6-7-17-18(12)2)11-4-5-13(15)14(8-11)19-3/h4-8,10,16H,9H2,1-3H3
InChIKeyNZXRVMCCYBHTEN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 82885094) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID82885094
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2ccnn2C)ccc1F
InChIInChI=1S/C14H18FN3O/c1-10(16-9-12-6-7-17-18(12)2)11-4-5-13(15)14(8-11)19-3/h4-8,10,16H,9H2,1-3H3
InChIKeyNZXRVMCCYBHTEN-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 82885094) is 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is COc1cc(C(C)NCc2ccnn2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is NZXRVMCCYBHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(16-9-12-6-7-17-18(12)2)11-4-5-13(15)14(8-11)19-3/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 82885094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).