1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine

C22H34N4O2 — CID 70148156

IUPAC1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(OC)cc1.Cc1cccc(C)c1OCC(C)N
InChIInChI=1S/C11H17N3O.C11H17NO/c1-12-11(13-2)14-8-9-4-6-10(15-3)7-5-9;1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-7H,8H2,1-3H3,(H2,12,13,14);4-6,10H,7,12H2,1-3H3
InChIKeyRPRCAIAQKISAMD-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.02
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine

1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine (PubChem CID 70148156) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine
PubChem CID70148156
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccc(OC)cc1.Cc1cccc(C)c1OCC(C)N
InChIInChI=1S/C11H17N3O.C11H17NO/c1-12-11(13-2)14-8-9-4-6-10(15-3)7-5-9;1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-7H,8H2,1-3H3,(H2,12,13,14);4-6,10H,7,12H2,1-3H3
InChIKeyRPRCAIAQKISAMD-UHFFFAOYSA-N
XLogP3.02
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1,2-dimethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110913272
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111177914
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978210
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine
CID 86777560
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203856
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111249337
1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
1-[[4-(methoxymethyl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183623
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182695
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
CID 111465658
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-methylsulfanylphenyl)methyl]guanidine
CID 111181857

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine (CID 70148156) is 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccc(OC)cc1.Cc1cccc(C)c1OCC(C)N.
What is the InChIKey of 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine?
The InChIKey is RPRCAIAQKISAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C11H17NO/c1-12-11(13-2)14-8-9-4-6-10(15-3)7-5-9;1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-7H,8H2,1-3H3,(H2,12,13,14);4-6,10H,7,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine?
1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine has a molecular weight of 386.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)propan-2-amine;1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 70148156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).