2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine

C19H26N4O — CID 111035137

IUPAC2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine
SMILESCCN(CCC/N=C(\N)Nc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-23(17-10-5-4-6-11-17)14-8-13-21-19(20)22-16-9-7-12-18(15-16)24-2/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H3,20,21,22)
InChIKeyCAXBCXFCQKBYCU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds8

About 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine

2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine (PubChem CID 111035137) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine
PubChem CID111035137
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine
SMILESCCN(CCC/N=C(\N)Nc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-23(17-10-5-4-6-11-17)14-8-13-21-19(20)22-16-9-7-12-18(15-16)24-2/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H3,20,21,22)
InChIKeyCAXBCXFCQKBYCU-UHFFFAOYSA-N
XLogP3.34
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
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-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457
2-[2-[di(propan-2-yl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111026259
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975479
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096298
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111821840
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine (CID 111035137) is 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine is CCN(CCC/N=C(\N)Nc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine?
The InChIKey is CAXBCXFCQKBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-23(17-10-5-4-6-11-17)14-8-13-21-19(20)22-16-9-7-12-18(15-16)24-2/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine?
2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 111035137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).