1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine

C11H14FN3 — CID 122082343

IUPAC1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
SMILESC/N=C(\N)N[C@@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FN3/c1-14-11(13)15-10-6-9(10)7-3-2-4-8(12)5-7/h2-5,9-10H,6H2,1H3,(H3,13,14,15)/t9-,10+/m0/s1
InChIKeyVIHNSAPCPFFAAF-VHSXEESVSA-N
MW207.25 g/mol
LogP1.22
Rot. Bonds2

About 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine

1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine (PubChem CID 122082343) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
PubChem CID122082343
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
SMILESC/N=C(\N)N[C@@H]1C[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FN3/c1-14-11(13)15-10-6-9(10)7-3-2-4-8(12)5-7/h2-5,9-10H,6H2,1H3,(H3,13,14,15)/t9-,10+/m0/s1
InChIKeyVIHNSAPCPFFAAF-VHSXEESVSA-N
XLogP1.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082415
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119147959
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
CID 129425298
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
CID 120590455
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine?
The IUPAC name of 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine (CID 122082343) is 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine?
The canonical SMILES for 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine is C/N=C(\N)N[C@@H]1C[C@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine?
The InChIKey is VIHNSAPCPFFAAF-VHSXEESVSA-N. The full InChI is InChI=1S/C11H14FN3/c1-14-11(13)15-10-6-9(10)7-3-2-4-8(12)5-7/h2-5,9-10H,6H2,1H3,(H3,13,14,15)/t9-,10+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine?
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine has a molecular weight of 207.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine is sourced from PubChem (CID 122082343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).