1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine

C14H23N3O — CID 103646263

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCOc1ccccc1CCN/C(N)=N/CC(C)C
InChIInChI=1S/C14H23N3O/c1-11(2)10-17-14(15)16-9-8-12-6-4-5-7-13(12)18-3/h4-7,11H,8-10H2,1-3H3,(H3,15,16,17)
InChIKeyOCLQXLORDJAYSN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine

1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 103646263) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID103646263
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCOc1ccccc1CCN/C(N)=N/CC(C)C
InChIInChI=1S/C14H23N3O/c1-11(2)10-17-14(15)16-9-8-12-6-4-5-7-13(12)18-3/h4-7,11H,8-10H2,1-3H3,(H3,15,16,17)
InChIKeyOCLQXLORDJAYSN-UHFFFAOYSA-N
XLogP1.80
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
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-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978581
1-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 166195081
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
1-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-(2-methylpropyl)guanidine
CID 111101733
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111340453
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
methyl 3-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111339936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine (CID 103646263) is 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine is COc1ccccc1CCN/C(N)=N/CC(C)C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is OCLQXLORDJAYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)10-17-14(15)16-9-8-12-6-4-5-7-13(12)18-3/h4-7,11H,8-10H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine?
1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 103646263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).