1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine

C15H25N3O — CID 110965810

IUPAC1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1ccc(OC)cc1)NC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)18-14(16-4)17-11-10-12-6-8-13(19-5)9-7-12/h6-9H,10-11H2,1-5H3,(H2,16,17,18)
InChIKeyGOHFTBOFOZDLOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds4

About 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine

1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine (PubChem CID 110965810) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
PubChem CID110965810
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1ccc(OC)cc1)NC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-15(2,3)18-14(16-4)17-11-10-12-6-8-13(19-5)9-7-12/h6-9H,10-11H2,1-5H3,(H2,16,17,18)
InChIKeyGOHFTBOFOZDLOS-UHFFFAOYSA-N
XLogP2.20
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
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'}

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Related Compounds

1-tert-butyl-3-[2-(4-ethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111547288
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675
1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125708
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 43384732
1-tert-butyl-3-[(6-methoxynaphthalen-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 110967071
1-(2-methoxy-3,3-dimethylbutyl)-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111710614
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111170599
N-[4-[2-[[N-[2-(4-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111171165
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171272
N-[4-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethyl]phenyl]acetamide;hydroiodide
CID 110965082
1-[2-(3-methoxy-4-methylphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111589362

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine (CID 110965810) is 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine is C/N=C(/NCCc1ccc(OC)cc1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
The InChIKey is GOHFTBOFOZDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)18-14(16-4)17-11-10-12-6-8-13(19-5)9-7-12/h6-9H,10-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine has a molecular weight of 263.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110965810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).