1-ethyl-1-(4-fluorophenyl)-2-propylguanidine

C12H18FN3 — CID 62362369

IUPAC1-ethyl-1-(4-fluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3/c1-3-9-15-12(14)16(4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,14,15)
InChIKeyBBLRJVUUJLWNNF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds4

About 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine

1-ethyl-1-(4-fluorophenyl)-2-propylguanidine (PubChem CID 62362369) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-ethyl-1-(4-fluorophenyl)-2-propylguanidine
PubChem CID62362369
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name1-ethyl-1-(4-fluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3/c1-3-9-15-12(14)16(4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,14,15)
InChIKeyBBLRJVUUJLWNNF-UHFFFAOYSA-N
XLogP2.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-ethyl-1-(4-fluorophenyl)guanidine
CID 62362594
(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 55135186
3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine
CID 116510824
N,N-diethyl-4-fluoroaniline
CID 592416
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
CID 76931380
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
CID 66065534
1,1-diethyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088233
1,1-diethyl-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine;hydroiodide
CID 111811915
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine?
The IUPAC name of 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine (CID 62362369) is 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine?
The canonical SMILES for 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine is CCC/N=C(\N)N(CC)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine?
The InChIKey is BBLRJVUUJLWNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-3-9-15-12(14)16(4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,14,15).
What are the key properties of 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine?
1-ethyl-1-(4-fluorophenyl)-2-propylguanidine has a molecular weight of 223.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(4-fluorophenyl)-2-propylguanidine is sourced from PubChem (CID 62362369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).