N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

C14H19N3O — CID 78921714

IUPACN-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCOc1ccccc1CNCc1ccn(C)n1
InChIInChI=1S/C14H19N3O/c1-3-18-14-7-5-4-6-12(14)10-15-11-13-8-9-17(2)16-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyKHCJFEBVTJAPRA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 78921714) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID78921714
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCOc1ccccc1CNCc1ccn(C)n1
InChIInChI=1S/C14H19N3O/c1-3-18-14-7-5-4-6-12(14)10-15-11-13-8-9-17(2)16-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyKHCJFEBVTJAPRA-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104724
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
N-[(2-ethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202283
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
[3-ethoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82865592
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 78921714) is N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is CCOc1ccccc1CNCc1ccn(C)n1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is KHCJFEBVTJAPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-14-7-5-4-6-12(14)10-15-11-13-8-9-17(2)16-13/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 78921714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).