1-amino-2-[2-(3-bromophenyl)ethyl]guanidine

C9H13BrN4 — CID 130663054

IUPAC1-amino-2-[2-(3-bromophenyl)ethyl]guanidine
SMILESNN/C(N)=N/CCc1cccc(Br)c1
InChIInChI=1S/C9H13BrN4/c10-8-3-1-2-7(6-8)4-5-13-9(11)14-12/h1-3,6H,4-5,12H2,(H3,11,13,14)
InChIKeyFNVRJQPNNNFXMW-UHFFFAOYSA-N
MW257.13 g/mol
LogP0.77
Rot. Bonds3

About 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine

1-amino-2-[2-(3-bromophenyl)ethyl]guanidine (PubChem CID 130663054) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(3-bromophenyl)ethyl]guanidine
PubChem CID130663054
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name1-amino-2-[2-(3-bromophenyl)ethyl]guanidine
SMILESNN/C(N)=N/CCc1cccc(Br)c1
InChIInChI=1S/C9H13BrN4/c10-8-3-1-2-7(6-8)4-5-13-9(11)14-12/h1-3,6H,4-5,12H2,(H3,11,13,14)
InChIKeyFNVRJQPNNNFXMW-UHFFFAOYSA-N
XLogP0.77
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 23637934
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
3-(3-bromophenyl)propanamide
CID 20823841
2-(3-bromophenyl)ethanol
CID 2734090
N'-[(3-bromophenyl)methyl]propanimidamide
CID 63177432
N-[2-(3-bromophenyl)ethyl]hydroxylamine
CID 105469369
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
CID 111031390
2-[(3-bromophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044563
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
3-(3-bromophenyl)propanamide;ethane
CID 91218964
1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine (CID 130663054) is 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine is NN/C(N)=N/CCc1cccc(Br)c1.
What is the InChIKey of 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine?
The InChIKey is FNVRJQPNNNFXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c10-8-3-1-2-7(6-8)4-5-13-9(11)14-12/h1-3,6H,4-5,12H2,(H3,11,13,14).
What are the key properties of 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine?
1-amino-2-[2-(3-bromophenyl)ethyl]guanidine has a molecular weight of 257.13 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3-bromophenyl)ethyl]guanidine is sourced from PubChem (CID 130663054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).