1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine

C15H25N3O3 — CID 75420917

IUPAC1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25N3O3/c1-5-8-17-15(16-2)18-10-13(19)12-9-11(20-3)6-7-14(12)21-4/h6-7,9,13,19H,5,8,10H2,1-4H3,(H2,16,17,18)
InChIKeyPZIHFVIHRYWYOS-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.31
Rot. Bonds7

About 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine

1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine (PubChem CID 75420917) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine
PubChem CID75420917
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25N3O3/c1-5-8-17-15(16-2)18-10-13(19)12-9-11(20-3)6-7-14(12)21-4/h6-7,9,13,19H,5,8,10H2,1-4H3,(H2,16,17,18)
InChIKeyPZIHFVIHRYWYOS-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.31
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

2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111226828
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
1-butyl-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 111149521
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111359835
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
2-[(2,5-difluorophenyl)methyl]-1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine
CID 111999609
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225454
1-(3-butoxypropyl)-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine
CID 111239697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine (CID 75420917) is 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine?
The InChIKey is PZIHFVIHRYWYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-8-17-15(16-2)18-10-13(19)12-9-11(20-3)6-7-14(12)21-4/h6-7,9,13,19H,5,8,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine?
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine has a molecular weight of 295.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 75420917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).