1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine

C15H25N3O2 — CID 100643243

IUPAC1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine
SMILESCCOCCOc1cc(C)ccc1CN/C(=N/C)NC
InChIInChI=1S/C15H25N3O2/c1-5-19-8-9-20-14-10-12(2)6-7-13(14)11-18-15(16-3)17-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,18)
InChIKeyIYAKDRKANUNMIJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.71
Rot. Bonds7

About 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine

1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine (PubChem CID 100643243) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine
PubChem CID100643243
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine
SMILESCCOCCOc1cc(C)ccc1CN/C(=N/C)NC
InChIInChI=1S/C15H25N3O2/c1-5-19-8-9-20-14-10-12(2)6-7-13(14)11-18-15(16-3)17-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,18)
InChIKeyIYAKDRKANUNMIJ-UHFFFAOYSA-N
XLogP1.71
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(2-ethoxybenzyl)amino](imino)methyl]-N''-methylurea
CID 9878197
1-[N'-[8-(12-amino-10-oxo-2-oxa-9,11,13-triazabicyclo[13.4.0]nonadeca-1(19),12,15,17-tetraen-9-yl)octyl]carbamimidoyl]-3-methylurea
CID 137633856
1-(6-Aminohexyl)-3-cyano-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
CID 15179488
methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 22756528
N-[2-(2-{[(4-{[Amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine
CID 448945
1-(2-Aminoethyl)-3-cyano-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
CID 15179485
1-(5-Aminopentyl)-3-(3-methoxybenzyl)guanidine
CID 44222295
1-[(2-Ethoxyphenyl)methyl]-3-ethylurea
CID 23736588
1-[8-(12-amino-10-oxo-2-oxa-9,11,13-triazabicyclo[13.4.0]nonadeca-1(19),12,15,17-tetraen-9-yl)octyl]-2-[(E)-but-2-enyl]guanidine
CID 72946686
1-[N'-[4-(12-amino-10-oxo-2-oxa-9,11,13-triazabicyclo[13.4.0]nonadeca-1(19),12,15,17-tetraen-9-yl)butyl]carbamimidoyl]-3-methylurea
CID 156758590
1-[N'-[6-(12-amino-10-oxo-2-oxa-9,11,13-triazabicyclo[13.4.0]nonadeca-1(19),12,15,17-tetraen-9-yl)hexyl]carbamimidoyl]-3-methylurea
CID 156758595
1-[N'-[8-(16-amino-22-methyl-14-oxo-2-oxa-13,15,17-triazatricyclo[17.4.0.04,9]tricosa-1(19),4,6,8,16,20,22-heptaen-13-yl)octyl]carbamimidoyl]-3-methylurea
CID 156758597

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine (CID 100643243) is 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine is CCOCCOc1cc(C)ccc1CN/C(=N/C)NC.
What is the InChIKey of 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine?
The InChIKey is IYAKDRKANUNMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-19-8-9-20-14-10-12(2)6-7-13(14)11-18-15(16-3)17-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine?
1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine has a molecular weight of 279.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 100643243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).