2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide

C11H17N3O — CID 61417970

IUPAC2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)Cc1ccc(OC)cc1
InChIInChI=1S/C11H17N3O/c1-14(8-11(12)13)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H3,12,13)
InChIKeyDANDMHOJLGYQLL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.06
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide

2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide (PubChem CID 61417970) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
PubChem CID61417970
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)Cc1ccc(OC)cc1
InChIInChI=1S/C11H17N3O/c1-14(8-11(12)13)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H3,12,13)
InChIKeyDANDMHOJLGYQLL-UHFFFAOYSA-N
XLogP1.06
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
4-[(4-methoxyphenyl)methyl-methylamino]butanethioamide
CID 61420617
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-[2-methoxyethyl(methyl)amino]ethanimidamide
CID 61427043
6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 64596135
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121
3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide
CID 65445995
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide (CID 61417970) is 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide is [H]/N=C(\N)CN(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide?
The InChIKey is DANDMHOJLGYQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(8-11(12)13)7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H3,12,13).
What are the key properties of 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide?
2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide is sourced from PubChem (CID 61417970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).