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

C19H21F2N3 — CID 111266685

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1F)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F2N3/c1-22-18(23-12-14-4-2-3-5-17(14)21)24-13-19(10-11-19)15-6-8-16(20)9-7-15/h2-9H,10-13H2,1H3,(H2,22,23,24)
InChIKeyLZXZMRXMEGODLK-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.36
Rot. Bonds5

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

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine (PubChem CID 111266685) has the molecular formula C19H21F2N3 and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
PubChem CID111266685
Molecular FormulaC19H21F2N3
Molecular Weight329.39 g/mol
Exact Mass329.17
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1F)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21F2N3/c1-22-18(23-12-14-4-2-3-5-17(14)21)24-13-19(10-11-19)15-6-8-16(20)9-7-15/h2-9H,10-13H2,1H3,(H2,22,23,24)
InChIKeyLZXZMRXMEGODLK-UHFFFAOYSA-N
XLogP3.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.36
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-[(2-fluorophenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111265852
1-[(2-ethoxyphenyl)methyl]-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine
CID 111880645
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
CID 111228209
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856320
1-[(1-ethylcyclobutyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 109470625
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377022
1-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232551
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976132
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350092
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355012
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111638072
1-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111173878

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine (CID 111266685) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine is C/N=C(\NCc1ccccc1F)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
The InChIKey is LZXZMRXMEGODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3/c1-22-18(23-12-14-4-2-3-5-17(14)21)24-13-19(10-11-19)15-6-8-16(20)9-7-15/h2-9H,10-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine has a molecular weight of 329.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).