1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine

C21H29N3O3 — CID 110949940

IUPAC1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(OC)cc(OC)cc1OC)NC(C)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-6-22-21(24-15(2)16-10-8-7-9-11-16)23-14-18-19(26-4)12-17(25-3)13-20(18)27-5/h7-13,15H,6,14H2,1-5H3,(H2,22,23,24)
InChIKeyUXOROZDMFPKFKH-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.53
Rot. Bonds8

About 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine

1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine (PubChem CID 110949940) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine
PubChem CID110949940
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(OC)cc(OC)cc1OC)NC(C)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-6-22-21(24-15(2)16-10-8-7-9-11-16)23-14-18-19(26-4)12-17(25-3)13-20(18)27-5/h7-13,15H,6,14H2,1-5H3,(H2,22,23,24)
InChIKeyUXOROZDMFPKFKH-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
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-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948405
1-ethyl-3-(1-phenylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110949069
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545792
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
2-methyl-1-(1-phenylethyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111545776
1-ethyl-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949461
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine
CID 110948474
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110950016
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110949054
2-[[ethylamino-(1-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110948233
2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948901
N-[2-[[ethylamino-(1-phenylethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 110948132

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine (CID 110949940) is 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine is CCN/C(=N\Cc1c(OC)cc(OC)cc1OC)NC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
The InChIKey is UXOROZDMFPKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-6-22-21(24-15(2)16-10-8-7-9-11-16)23-14-18-19(26-4)12-17(25-3)13-20(18)27-5/h7-13,15H,6,14H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine has a molecular weight of 371.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-phenylethyl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 110949940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).