1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide

C14H24IN3O — CID 111095711

IUPAC1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
SMILESCOc1ccc(C/N=C(\N)NC(C)(C)C)cc1C.I
InChIInChI=1S/C14H23N3O.HI/c1-10-8-11(6-7-12(10)18-5)9-16-13(15)17-14(2,3)4;/h6-8H,9H2,1-5H3,(H3,15,16,17);1H
InChIKeyZPWJRPNYUAWVIG-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.82
Rot. Bonds3

About 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide

1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide (PubChem CID 111095711) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
PubChem CID111095711
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
SMILESCOc1ccc(C/N=C(\N)NC(C)(C)C)cc1C.I
InChIInChI=1S/C14H23N3O.HI/c1-10-8-11(6-7-12(10)18-5)9-16-13(15)17-14(2,3)4;/h6-8H,9H2,1-5H3,(H3,15,16,17);1H
InChIKeyZPWJRPNYUAWVIG-UHFFFAOYSA-N
XLogP2.82
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide 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

1-tert-butyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine
CID 111052042
1-tert-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111049569
1-tert-butyl-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]guanidine;hydroiodide
CID 111051739
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707
1-tert-butyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 111049570
N-[5-[[[amino-(tert-butylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094528
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695
1-tert-butyl-2-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111048173
1-tert-butyl-2-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]guanidine;hydroiodide
CID 111096728
1-tert-butyl-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine
CID 111066639
2-[(4-methoxy-3-methylphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111095709
1-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095699

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide (CID 111095711) is 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide is COc1ccc(C/N=C(\N)NC(C)(C)C)cc1C.I.
What is the InChIKey of 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is ZPWJRPNYUAWVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-10-8-11(6-7-12(10)18-5)9-16-13(15)17-14(2,3)4;/h6-8H,9H2,1-5H3,(H3,15,16,17);1H.
What are the key properties of 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide?
1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111095711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).