1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine

C11H16BrN3 — CID 62362557

IUPAC1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C11H16BrN3/c1-3-14-11(13)15(2)8-9-5-4-6-10(12)7-9/h4-7H,3,8H2,1-2H3,(H2,13,14)
InChIKeyBCKAVBNSNBRMMJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.22
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine

1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine (PubChem CID 62362557) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine
PubChem CID62362557
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C11H16BrN3/c1-3-14-11(13)15(2)8-9-5-4-6-10(12)7-9/h4-7H,3,8H2,1-2H3,(H2,13,14)
InChIKeyBCKAVBNSNBRMMJ-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.22
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

2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363437
2-[(3-bromophenyl)methyl]-1,1-diethylguanidine
CID 111044516
2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine
CID 62379462
N'-[(3-bromophenyl)methyl]propanimidamide
CID 63177432
1-[(3-cyanophenyl)methyl]-1-methyl-2-propylguanidine
CID 62967583
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286812
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
1-[(3-bromophenyl)methyl]-1-methyl-3-propan-2-ylthiourea
CID 115589435
N-(2-amino-2-sulfanylideneethyl)-N'-[(3-bromophenyl)methyl]-N'-methyloxamide
CID 61416166

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine (CID 62362557) is 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine is CC/N=C(\N)N(C)Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine?
The InChIKey is BCKAVBNSNBRMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-3-14-11(13)15(2)8-9-5-4-6-10(12)7-9/h4-7H,3,8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine?
1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine has a molecular weight of 270.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine is sourced from PubChem (CID 62362557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).