N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide

C18H22N2O — CID 175763414

IUPACN'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILES[2H]Cc1ccc(C[2H])c(Oc2ccccc2/N=C\N(C)CC)c1
InChIInChI=1S/C18H22N2O/c1-5-20(4)13-19-16-8-6-7-9-17(16)21-18-12-14(2)10-11-15(18)3/h6-13H,5H2,1-4H3/b19-13-/i2D,3D
InChIKeyIXLRGWAAJBJMSQ-QDASWXFVSA-N
MW284.40 g/mol
LogP4.71
Rot. Bonds7

About N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 175763414) has the molecular formula C18H22N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID175763414
Molecular FormulaC18H22N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILES[2H]Cc1ccc(C[2H])c(Oc2ccccc2/N=C\N(C)CC)c1
InChIInChI=1S/C18H22N2O/c1-5-20(4)13-19-16-8-6-7-9-17(16)21-18-12-14(2)10-11-15(18)3/h6-13H,5H2,1-4H3/b19-13-/i2D,3D
InChIKeyIXLRGWAAJBJMSQ-QDASWXFVSA-N
XLogP4.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide (CID 175763414) is N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide is [2H]Cc1ccc(C[2H])c(Oc2ccccc2/N=C\N(C)CC)c1.
What is the InChIKey of N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is IXLRGWAAJBJMSQ-QDASWXFVSA-N. The full InChI is InChI=1S/C18H22N2O/c1-5-20(4)13-19-16-8-6-7-9-17(16)21-18-12-14(2)10-11-15(18)3/h6-13H,5H2,1-4H3/b19-13-/i2D,3D.
What are the key properties of N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 284.40 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2,5-bis(deuteriomethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 175763414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).