1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine

C19H24FN3O — CID 111794182

IUPAC1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine
SMILESCCN/C(=N\Cc1ccc(F)cc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H24FN3O/c1-2-21-19(23-14-16-5-9-17(20)10-6-16)22-13-3-4-15-7-11-18(24)12-8-15/h5-12,24H,2-4,13-14H2,1H3,(H2,21,22,23)
InChIKeyKCXFBSLRSMAGHD-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.22
Rot. Bonds7

About 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine

1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine (PubChem CID 111794182) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine
PubChem CID111794182
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine
SMILESCCN/C(=N\Cc1ccc(F)cc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H24FN3O/c1-2-21-19(23-14-16-5-9-17(20)10-6-16)22-13-3-4-15-7-11-18(24)12-8-15/h5-12,24H,2-4,13-14H2,1H3,(H2,21,22,23)
InChIKeyKCXFBSLRSMAGHD-UHFFFAOYSA-N
XLogP3.22
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(4-hydroxyphenyl)methyl]-3-pentylguanidine;hydroiodide
CID 111128660
1-ethyl-3-hexyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111160876
2-[[4-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111229063
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111395307
1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[(2-methylphenyl)methyl]guanidine
CID 111796732
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)propyl]guanidine
CID 111183150
1-[4-(diethylamino)butyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111232763
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111790018
1-(3-ethoxypropyl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111223207
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295552
1-(4-ethoxybutyl)-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111231368
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978244

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine (CID 111794182) is 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine is CCN/C(=N\Cc1ccc(F)cc1)NCCCc1ccc(O)cc1.
What is the InChIKey of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine?
The InChIKey is KCXFBSLRSMAGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-21-19(23-14-16-5-9-17(20)10-6-16)22-13-3-4-15-7-11-18(24)12-8-15/h5-12,24H,2-4,13-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine?
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine has a molecular weight of 329.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)propyl]guanidine is sourced from PubChem (CID 111794182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).