N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C15H20FN3 — CID 106881613

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3/c1-5-17-15(12-8-18-19(4)9-12)14-11(3)6-10(2)7-13(14)16/h6-9,15,17H,5H2,1-4H3
InChIKeyOVPCNHTXLIKGHF-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.87
Rot. Bonds4

About N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 106881613) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID106881613
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3/c1-5-17-15(12-8-18-19(4)9-12)14-11(3)6-10(2)7-13(14)16/h6-9,15,17H,5H2,1-4H3
InChIKeyOVPCNHTXLIKGHF-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
[(1-methylpyrazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105288719
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 106883667
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107288998
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 106881613) is N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OVPCNHTXLIKGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-5-17-15(12-8-18-19(4)9-12)14-11(3)6-10(2)7-13(14)16/h6-9,15,17H,5H2,1-4H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 106881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).