1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide

C19H23Br2N3O — CID 154838813

IUPAC1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
SMILESBr.COc1ccccc1C/N=C(\N)NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H22BrN3O.BrH/c1-24-18-5-3-2-4-14(18)12-22-19(21)23-17-10-15(11-17)13-6-8-16(20)9-7-13;/h2-9,15,17H,10-12H2,1H3,(H3,21,22,23);1H
InChIKeyGTWPWTVDXMFNAZ-UHFFFAOYSA-N
MW469.22 g/mol
LogP4.39
Rot. Bonds5

About 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide

1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide (PubChem CID 154838813) has the molecular formula C19H23Br2N3O and a molecular weight of 469.22 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
PubChem CID154838813
Molecular FormulaC19H23Br2N3O
Molecular Weight469.22 g/mol
Exact Mass467.02
IUPAC Name1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
SMILESBr.COc1ccccc1C/N=C(\N)NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H22BrN3O.BrH/c1-24-18-5-3-2-4-14(18)12-22-19(21)23-17-10-15(11-17)13-6-8-16(20)9-7-13;/h2-9,15,17H,10-12H2,1H3,(H3,21,22,23);1H
InChIKeyGTWPWTVDXMFNAZ-UHFFFAOYSA-N
XLogP4.39
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.22
LogP ≤ 54.39
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

1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120663283
1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120671597
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120671482
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-[(8-hydroxy-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanyl)methyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120603016
2-[(5-bromo-2-methoxyphenyl)methyl]-1-tert-butylguanidine
CID 111092778
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide?
The IUPAC name of 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide (CID 154838813) is 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide.
What is the SMILES notation for 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide?
The canonical SMILES for 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide is Br.COc1ccccc1C/N=C(\N)NC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide?
The InChIKey is GTWPWTVDXMFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O.BrH/c1-24-18-5-3-2-4-14(18)12-22-19(21)23-17-10-15(11-17)13-6-8-16(20)9-7-13;/h2-9,15,17H,10-12H2,1H3,(H3,21,22,23);1H.
What are the key properties of 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide?
1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide has a molecular weight of 469.22 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide is sourced from PubChem (CID 154838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).