1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine

C16H27N3O2 — CID 111791997

IUPAC1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\CCCOc1cccc(OC)c1)NC(C)C
InChIInChI=1S/C16H27N3O2/c1-5-17-16(19-13(2)3)18-10-7-11-21-15-9-6-8-14(12-15)20-4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H2,17,18,19)
InChIKeyLZSGHXZVMPEQCJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.43
Rot. Bonds8

About 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine

1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine (PubChem CID 111791997) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine
PubChem CID111791997
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\CCCOc1cccc(OC)c1)NC(C)C
InChIInChI=1S/C16H27N3O2/c1-5-17-16(19-13(2)3)18-10-7-11-21-15-9-6-8-14(12-15)20-4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H2,17,18,19)
InChIKeyLZSGHXZVMPEQCJ-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111791996
1-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127351
1-butan-2-yl-3-ethyl-2-[2-(3-methoxyphenoxy)ethyl]guanidine
CID 110943608
1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111790089
1-cyclopropyl-3-ethyl-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111790858
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136922401
1-ethyl-2-[3-(3-methoxyphenyl)propyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237125
1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111834611
2-[2-(3-chlorophenoxy)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236352
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791654
1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834610
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111792626

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine (CID 111791997) is 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine is CCN/C(=N\CCCOc1cccc(OC)c1)NC(C)C.
What is the InChIKey of 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine?
The InChIKey is LZSGHXZVMPEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-17-16(19-13(2)3)18-10-7-11-21-15-9-6-8-14(12-15)20-4/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine?
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine has a molecular weight of 293.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 111791997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).