N'-[(3-bromophenyl)methyl]propanimidamide

C10H13BrN2 — CID 63177432

IUPACN'-[(3-bromophenyl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-2-10(12)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13)
InChIKeyJLMUOQGTGPNNIL-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.72
Rot. Bonds3

About N'-[(3-bromophenyl)methyl]propanimidamide

N'-[(3-bromophenyl)methyl]propanimidamide (PubChem CID 63177432) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]propanimidamide
PubChem CID63177432
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC NameN'-[(3-bromophenyl)methyl]propanimidamide
SMILESCC/C(N)=N\Cc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-2-10(12)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13)
InChIKeyJLMUOQGTGPNNIL-UHFFFAOYSA-N
XLogP2.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.72
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-[(3-bromophenyl)methyl]-1,1-diethylguanidine
CID 111044516
N'-benzylpropanimidamide
CID 45122449
2-[(3-bromophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 23637934
2-(3-bromophenyl)-N'-methylethanimidamide
CID 63181979
2-[(3-bromophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044563
2-[(3-bromophenyl)methyl]-1-(3-ethoxypropyl)guanidine
CID 75364739
N'-[(3-bromophenyl)methyl]-N-cyanoethanimidamide
CID 119088895
2-[(3-bromophenyl)methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 75364738
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
2-[(3-bromophenyl)methyl]-1-tert-butyl-3-ethylguanidine
CID 110965962
1-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine
CID 62362557
tert-butyl N-[N'-[(3-bromophenyl)methyl]carbamimidoyl]carbamate
CID 143717985

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]propanimidamide?
The IUPAC name of N'-[(3-bromophenyl)methyl]propanimidamide (CID 63177432) is N'-[(3-bromophenyl)methyl]propanimidamide.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]propanimidamide?
The canonical SMILES for N'-[(3-bromophenyl)methyl]propanimidamide is CC/C(N)=N\Cc1cccc(Br)c1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]propanimidamide?
The InChIKey is JLMUOQGTGPNNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-2-10(12)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13).
What are the key properties of N'-[(3-bromophenyl)methyl]propanimidamide?
N'-[(3-bromophenyl)methyl]propanimidamide has a molecular weight of 241.13 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]propanimidamide is sourced from PubChem (CID 63177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).