2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide

C19H35IN4O2 — CID 111053140

IUPAC2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)N(CC)CC)cc1OC.I
InChIInChI=1S/C19H34N4O2.HI/c1-6-22(7-2)12-13-25-17-11-10-16(14-18(17)24-5)15-21-19(20)23(8-3)9-4;/h10-11,14H,6-9,12-13,15H2,1-5H3,(H2,20,21);1H
InChIKeyQSZCBJRMJGTIMH-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.19
Rot. Bonds11

About 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide

2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 111053140) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide
PubChem CID111053140
Molecular FormulaC19H35IN4O2
Molecular Weight478.42 g/mol
Exact Mass478.18
IUPAC Name2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)N(CC)CC)cc1OC.I
InChIInChI=1S/C19H34N4O2.HI/c1-6-22(7-2)12-13-25-17-11-10-16(14-18(17)24-5)15-21-19(20)23(8-3)9-4;/h10-11,14H,6-9,12-13,15H2,1-5H3,(H2,20,21);1H
InChIKeyQSZCBJRMJGTIMH-UHFFFAOYSA-N
XLogP3.19
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111053144
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111053130
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111699512
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190833
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937302
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217
methyl 1-[N'-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254986
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953562
1,1-diethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111026358
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111534521
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate;dihydrochloride
CID 3042861

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide (CID 111053140) is 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)CCOc1ccc(C/N=C(\N)N(CC)CC)cc1OC.I.
What is the InChIKey of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is QSZCBJRMJGTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-6-22(7-2)12-13-25-17-11-10-16(14-18(17)24-5)15-21-19(20)23(8-3)9-4;/h10-11,14H,6-9,12-13,15H2,1-5H3,(H2,20,21);1H.
What are the key properties of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide?
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1,1-diethylguanidine;hydroiodide is sourced from PubChem (CID 111053140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).