N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine

C15H21N3O — CID 116773030

IUPACN-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
SMILESCCNC(c1cnn(C)c1)C(OC)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-4-16-14(13-10-17-18(2)11-13)15(19-3)12-8-6-5-7-9-12/h5-11,14-16H,4H2,1-3H3
InChIKeySLTARFLORCPCMU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine

N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine (PubChem CID 116773030) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
PubChem CID116773030
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
SMILESCCNC(c1cnn(C)c1)C(OC)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-4-16-14(13-10-17-18(2)11-13)15(19-3)12-8-6-5-7-9-12/h5-11,14-16H,4H2,1-3H3
InChIKeySLTARFLORCPCMU-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 116773141
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 79495409
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
CID 114282093
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-amine
CID 64627603
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
CID 116773182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine?
The IUPAC name of N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine (CID 116773030) is N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine?
The canonical SMILES for N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine is CCNC(c1cnn(C)c1)C(OC)c1ccccc1.
What is the InChIKey of N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine?
The InChIKey is SLTARFLORCPCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-14(13-10-17-18(2)11-13)15(19-3)12-8-6-5-7-9-12/h5-11,14-16H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine?
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine is sourced from PubChem (CID 116773030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).