1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine

C15H23FN4 — CID 110988238

IUPAC1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(N(C)C)c(F)c1)NC1CC1
InChIInChI=1S/C15H23FN4/c1-4-17-15(19-12-6-7-12)18-10-11-5-8-14(20(2)3)13(16)9-11/h5,8-9,12H,4,6-7,10H2,1-3H3,(H2,17,18,19)
InChIKeyYKQPYHNTYLOOQQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.11
Rot. Bonds5

About 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine

1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine (PubChem CID 110988238) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine
PubChem CID110988238
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(N(C)C)c(F)c1)NC1CC1
InChIInChI=1S/C15H23FN4/c1-4-17-15(19-12-6-7-12)18-10-11-5-8-14(20(2)3)13(16)9-11/h5,8-9,12H,4,6-7,10H2,1-3H3,(H2,17,18,19)
InChIKeyYKQPYHNTYLOOQQ-UHFFFAOYSA-N
XLogP2.11
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110926018
1-(1-benzylpiperidin-4-yl)-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine
CID 110985956
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979019
2-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111833433
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979018
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979074
1-cyclopropyl-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 110988637
1-cyclohexyl-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111826149
1-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190151
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-3-ethylguanidine
CID 110992777
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111827153
2-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988591

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine (CID 110988238) is 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine is CCN/C(=N\Cc1ccc(N(C)C)c(F)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine?
The InChIKey is YKQPYHNTYLOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-4-17-15(19-12-6-7-12)18-10-11-5-8-14(20(2)3)13(16)9-11/h5,8-9,12H,4,6-7,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine?
1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine has a molecular weight of 278.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-ethylguanidine is sourced from PubChem (CID 110988238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).