2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide

C14H25IN4O — CID 111089820

IUPAC2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCOCCNc1ccc(C/N=C(\N)NC(C)C)cc1.I
InChIInChI=1S/C14H24N4O.HI/c1-11(2)18-14(15)17-10-12-4-6-13(7-5-12)16-8-9-19-3;/h4-7,11,16H,8-10H2,1-3H3,(H3,15,17,18);1H
InChIKeyHTFKELNGPAUFLZ-UHFFFAOYSA-N
MW392.29 g/mol
LogP2.18
Rot. Bonds7

About 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide

2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111089820) has the molecular formula C14H25IN4O and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111089820
Molecular FormulaC14H25IN4O
Molecular Weight392.29 g/mol
Exact Mass392.11
IUPAC Name2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCOCCNc1ccc(C/N=C(\N)NC(C)C)cc1.I
InChIInChI=1S/C14H24N4O.HI/c1-11(2)18-14(15)17-10-12-4-6-13(7-5-12)16-8-9-19-3;/h4-7,11,16H,8-10H2,1-3H3,(H3,15,17,18);1H
InChIKeyHTFKELNGPAUFLZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.18
H-Bond Donors ≤ 53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111089854
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111089855
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
1-(cyclobutylmethyl)-2-[[4-(2-methoxyethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111089846
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111089808
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
2-[[4-(2-methylpropoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111076076
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045402
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 51131423

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide (CID 111089820) is 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide is COCCNc1ccc(C/N=C(\N)NC(C)C)cc1.I.
What is the InChIKey of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is HTFKELNGPAUFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.HI/c1-11(2)18-14(15)17-10-12-4-6-13(7-5-12)16-8-9-19-3;/h4-7,11,16H,8-10H2,1-3H3,(H3,15,17,18);1H.
What are the key properties of 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide?
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 392.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111089820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).