3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide

C14H23N3O — CID 107912552

IUPAC3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCCN(CC)CC)c1
InChIInChI=1S/C14H23N3O/c1-4-17(5-2)8-9-18-13-10-12(14(15)16)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H3,15,16)
InChIKeyWCMCGRHOYOLLCB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.00
Rot. Bonds7

About 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide

3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide (PubChem CID 107912552) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
PubChem CID107912552
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCCN(CC)CC)c1
InChIInChI=1S/C14H23N3O/c1-4-17(5-2)8-9-18-13-10-12(14(15)16)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H3,15,16)
InChIKeyWCMCGRHOYOLLCB-UHFFFAOYSA-N
XLogP2.00
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.00
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-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-(2-tert-butylsulfonylethoxy)-4-methylbenzenecarboximidamide
CID 107657342
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
3-(difluoromethoxy)-4-methylbenzenecarboximidamide
CID 107657251
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide (CID 107912552) is 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCCN(CC)CC)c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide?
The InChIKey is WCMCGRHOYOLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(5-2)8-9-18-13-10-12(14(15)16)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H3,15,16).
What are the key properties of 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide?
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107912552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).