2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline

C12H18N2O — CID 74932539

IUPAC2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline
SMILESCc1cc(C=NOC(C)C)c(C)cc1N
InChIInChI=1S/C12H18N2O/c1-8(2)15-14-7-11-5-10(4)12(13)6-9(11)3/h5-8H,13H2,1-4H3
InChIKeyHHSHDBLXTPNCGH-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.64
Rot. Bonds3

About 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline

2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline (PubChem CID 74932539) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline
PubChem CID74932539
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline
SMILESCc1cc(C=NOC(C)C)c(C)cc1N
InChIInChI=1S/C12H18N2O/c1-8(2)15-14-7-11-5-10(4)12(13)6-9(11)3/h5-8H,13H2,1-4H3
InChIKeyHHSHDBLXTPNCGH-UHFFFAOYSA-N
XLogP2.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline?
The IUPAC name of 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline (CID 74932539) is 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline?
The canonical SMILES for 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline is Cc1cc(C=NOC(C)C)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline?
The InChIKey is HHSHDBLXTPNCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)15-14-7-11-5-10(4)12(13)6-9(11)3/h5-8H,13H2,1-4H3.
What are the key properties of 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline?
2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline has a molecular weight of 206.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(propan-2-yloxyiminomethyl)aniline is sourced from PubChem (CID 74932539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).