1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine

C14H23FN4O — CID 116515866

IUPAC1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/CCc1ccc(F)cc1C)NN
InChIInChI=1S/C14H23FN4O/c1-10-8-13(15)5-4-12(10)6-7-17-14(19-16)18-11(2)9-20-3/h4-5,8,11H,6-7,9,16H2,1-3H3,(H2,17,18,19)
InChIKeyAESRWPDXDYGXQK-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.12
Rot. Bonds6

About 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 116515866) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
PubChem CID116515866
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/CCc1ccc(F)cc1C)NN
InChIInChI=1S/C14H23FN4O/c1-10-8-13(15)5-4-12(10)6-7-17-14(19-16)18-11(2)9-20-3/h4-5,8,11H,6-7,9,16H2,1-3H3,(H2,17,18,19)
InChIKeyAESRWPDXDYGXQK-UHFFFAOYSA-N
XLogP1.12
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine 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

1-amino-3-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 116513489
1-amino-3-[1-(4-fluorophenyl)propan-2-yl]-2-(2-methoxyethyl)guanidine
CID 116515016
1-amino-3-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylguanidine
CID 116515869
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 116513759
2-[2-(3,5-difluorophenyl)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235063
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
CID 111031315
1-amino-2-butyl-3-[2-(4-fluoro-2-methylphenyl)ethyl]guanidine
CID 116515867
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-amino-2-[(3-chloro-4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 116511059
1-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111782969
1-amino-2-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylguanidine
CID 116512072

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine (CID 116515866) is 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(=N/CCc1ccc(F)cc1C)NN.
What is the InChIKey of 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is AESRWPDXDYGXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-10-8-13(15)5-4-12(10)6-7-17-14(19-16)18-11(2)9-20-3/h4-5,8,11H,6-7,9,16H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 282.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 116515866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).