2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine

C14H20N4O — CID 63672184

IUPAC2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2cnn(C)c2)ccc1N
InChIInChI=1S/C14H20N4O/c1-4-19-14-7-12(5-6-13(14)15)17(2)9-11-8-16-18(3)10-11/h5-8,10H,4,9,15H2,1-3H3
InChIKeyJUWKRGBRFZQRBX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds5

About 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine

2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine (PubChem CID 63672184) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
PubChem CID63672184
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2cnn(C)c2)ccc1N
InChIInChI=1S/C14H20N4O/c1-4-19-14-7-12(5-6-13(14)15)17(2)9-11-8-16-18(3)10-11/h5-8,10H,4,9,15H2,1-3H3
InChIKeyJUWKRGBRFZQRBX-UHFFFAOYSA-N
XLogP2.04
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
CID 102624011
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
CID 63670329
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
3-[(4-amino-3-ethoxy-N-methylanilino)methyl]benzonitrile
CID 63675919
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 31921129
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
CID 81281986
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
N-methyl-6-[1-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 115939368
methyl 4-amino-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoate
CID 82784994
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine (CID 63672184) is 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine is CCOc1cc(N(C)Cc2cnn(C)c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
The InChIKey is JUWKRGBRFZQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-14-7-12(5-6-13(14)15)17(2)9-11-8-16-18(3)10-11/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63672184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).