N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

C21H25N3O2 — CID 119127608

IUPACN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOc1cc(CNCCn2cc(C)cn2)c(-c2ccccc2)cc1OC
InChIInChI=1S/C21H25N3O2/c1-16-13-23-24(15-16)10-9-22-14-18-11-20(25-2)21(26-3)12-19(18)17-7-5-4-6-8-17/h4-8,11-13,15,22H,9-10,14H2,1-3H3
InChIKeyVMEWESBPJJAFIX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds8

About N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 119127608) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID119127608
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOc1cc(CNCCn2cc(C)cn2)c(-c2ccccc2)cc1OC
InChIInChI=1S/C21H25N3O2/c1-16-13-23-24(15-16)10-9-22-14-18-11-20(25-2)21(26-3)12-19(18)17-7-5-4-6-8-17/h4-8,11-13,15,22H,9-10,14H2,1-3H3
InChIKeyVMEWESBPJJAFIX-UHFFFAOYSA-N
XLogP3.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649568
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103650750
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 119110843
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
N-[[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 61033659
2-(4-methylpyrazol-1-yl)-N-[(2-pyridin-3-yloxyphenyl)methyl]ethanamine
CID 56780251
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127593
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 105352551
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127589
N-[(2-chloro-3-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103897855

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (CID 119127608) is N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is COc1cc(CNCCn2cc(C)cn2)c(-c2ccccc2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is VMEWESBPJJAFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-13-23-24(15-16)10-9-22-14-18-11-20(25-2)21(26-3)12-19(18)17-7-5-4-6-8-17/h4-8,11-13,15,22H,9-10,14H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 351.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 119127608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).