2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine

C15H22BrN3 — CID 110031727

IUPAC2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC(C)(C)c1ccccc1Br)C1CC1
InChIInChI=1S/C15H22BrN3/c1-15(2,12-6-4-5-7-13(12)16)10-18-14(17)19(3)11-8-9-11/h4-7,11H,8-10H2,1-3H3,(H2,17,18)
InChIKeyMVTNMCDOHNMXDP-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine

2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 110031727) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine
PubChem CID110031727
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC(C)(C)c1ccccc1Br)C1CC1
InChIInChI=1S/C15H22BrN3/c1-15(2,12-6-4-5-7-13(12)16)10-18-14(17)19(3)11-8-9-11/h4-7,11H,8-10H2,1-3H3,(H2,17,18)
InChIKeyMVTNMCDOHNMXDP-UHFFFAOYSA-N
XLogP3.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.14
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'}

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Related Compounds

1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
1-cyclopropyl-1-methyl-2-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]guanidine
CID 110030930
1-cyclopropyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylguanidine
CID 110030778
2-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031172
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
2-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-methylguanidine
CID 110029810
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
2-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031837
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110030946
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine (CID 110031727) is 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CC(C)(C)c1ccccc1Br)C1CC1.
What is the InChIKey of 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is MVTNMCDOHNMXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-15(2,12-6-4-5-7-13(12)16)10-18-14(17)19(3)11-8-9-11/h4-7,11H,8-10H2,1-3H3,(H2,17,18).
What are the key properties of 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine?
2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 324.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110031727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).