3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide

C11H16N2O2 — CID 63181250

IUPAC3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(OC)c(OC)c1)N(C)C
InChIInChI=1S/C11H16N2O2/c1-13(2)11(12)8-5-6-9(14-3)10(7-8)15-4/h5-7,12H,1-4H3/b12-11-
InChIKeyBJISHBWTYLRMBE-QXMHVHEDSA-N
MW208.26 g/mol
LogP1.59
Rot. Bonds3

About 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide

3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide (PubChem CID 63181250) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide
PubChem CID63181250
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(OC)c(OC)c1)N(C)C
InChIInChI=1S/C11H16N2O2/c1-13(2)11(12)8-5-6-9(14-3)10(7-8)15-4/h5-7,12H,1-4H3/b12-11-
InChIKeyBJISHBWTYLRMBE-QXMHVHEDSA-N
XLogP1.59
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
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

3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide
CID 89063363
(3,4-dimethoxyphenyl)-piperidin-1-ylmethanimine
CID 63179479
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3,4-dimethoxybenzoic acid;methanol
CID 144580050
(Z)-2-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enal
CID 12523502
ethyl 4-(N,N-dimethylcarbamimidoyl)benzoate
CID 22631319
(E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1481362
6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide
CID 102952969
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
1-(3-methoxy-4-methylphenyl)ethanimine
CID 142083574

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide (CID 63181250) is 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide is [H]/N=C(/c1ccc(OC)c(OC)c1)N(C)C.
What is the InChIKey of 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide?
The InChIKey is BJISHBWTYLRMBE-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)11(12)8-5-6-9(14-3)10(7-8)15-4/h5-7,12H,1-4H3/b12-11-.
What are the key properties of 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide?
3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 63181250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).