2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide

C18H33IN4O2 — CID 111053144

IUPAC2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)NC(C)C)cc1OC.I
InChIInChI=1S/C18H32N4O2.HI/c1-6-22(7-2)10-11-24-16-9-8-15(12-17(16)23-5)13-20-18(19)21-14(3)4;/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H3,19,20,21);1H
InChIKeyJULZXWVAXNQNIW-UHFFFAOYSA-N
MW464.39 g/mol
LogP2.85
Rot. Bonds10

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

2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111053144) has the molecular formula C18H33IN4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111053144
Molecular FormulaC18H33IN4O2
Molecular Weight464.39 g/mol
Exact Mass464.16
IUPAC Name2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)NC(C)C)cc1OC.I
InChIInChI=1S/C18H32N4O2.HI/c1-6-22(7-2)10-11-24-16-9-8-15(12-17(16)23-5)13-20-18(19)21-14(3)4;/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H3,19,20,21);1H
InChIKeyJULZXWVAXNQNIW-UHFFFAOYSA-N
XLogP2.85
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
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]-1,1-diethylguanidine;hydroiodide
CID 111053140
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111053130
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049649
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine;hydroiodide
CID 110999352
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-(furan-2-ylmethyl)guanidine
CID 110937302
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111096359
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053110
1-(3-chloro-4-methoxyphenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111053032
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-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111049697

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide (CID 111053144) is 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide is CCN(CC)CCOc1ccc(C/N=C(\N)NC(C)C)cc1OC.I.
What is the InChIKey of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is JULZXWVAXNQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.HI/c1-6-22(7-2)10-11-24-16-9-8-15(12-17(16)23-5)13-20-18(19)21-14(3)4;/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H3,19,20,21);1H.
What are the key properties of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 464.39 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 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-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111053144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).