N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine

C15H21N3O2 — CID 19623033

IUPACN-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
SMILESCCn1ccc(CNCc2c(OC)cccc2OC)n1
InChIInChI=1S/C15H21N3O2/c1-4-18-9-8-12(17-18)10-16-11-13-14(19-2)6-5-7-15(13)20-3/h5-9,16H,4,10-11H2,1-3H3
InChIKeyVTJKPEFIGOLKJA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine

N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine (PubChem CID 19623033) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
PubChem CID19623033
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
SMILESCCn1ccc(CNCc2c(OC)cccc2OC)n1
InChIInChI=1S/C15H21N3O2/c1-4-18-9-8-12(17-18)10-16-11-13-14(19-2)6-5-7-15(13)20-3/h5-9,16H,4,10-11H2,1-3H3
InChIKeyVTJKPEFIGOLKJA-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine (CID 19623033) is N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine is CCn1ccc(CNCc2c(OC)cccc2OC)n1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The InChIKey is VTJKPEFIGOLKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-9-8-12(17-18)10-16-11-13-14(19-2)6-5-7-15(13)20-3/h5-9,16H,4,10-11H2,1-3H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 19623033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).