2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine

C14H19N3O2 — CID 63670329

IUPAC2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2cc(C)on2)ccc1N
InChIInChI=1S/C14H19N3O2/c1-4-18-14-8-12(5-6-13(14)15)17(3)9-11-7-10(2)19-16-11/h5-8H,4,9,15H2,1-3H3
InChIKeyQKXMRJFOSAABKN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds5

About 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine

2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine (PubChem CID 63670329) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
PubChem CID63670329
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
SMILESCCOc1cc(N(C)Cc2cc(C)on2)ccc1N
InChIInChI=1S/C14H19N3O2/c1-4-18-14-8-12(5-6-13(14)15)17(3)9-11-7-10(2)19-16-11/h5-8H,4,9,15H2,1-3H3
InChIKeyQKXMRJFOSAABKN-UHFFFAOYSA-N
XLogP2.60
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
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

1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
CID 62911287
1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
CID 104612411
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
4-chloro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 113315624
2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
CID 63725265
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
CID 141045942
2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43588188
3-[(4-amino-3-ethoxy-N-methylanilino)methyl]benzonitrile
CID 63675919

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine (CID 63670329) is 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine is CCOc1cc(N(C)Cc2cc(C)on2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is QKXMRJFOSAABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-18-14-8-12(5-6-13(14)15)17(3)9-11-7-10(2)19-16-11/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine?
2-ethoxy-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 261.32 g/mol, XLogP of 2.60, 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-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63670329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).