N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide

C10H14BrN3 — CID 164646497

IUPACN-amino-2-(2-bromophenyl)-N'-ethylethanimidamide
SMILESCC/N=C(/Cc1ccccc1Br)NN
InChIInChI=1S/C10H14BrN3/c1-2-13-10(14-12)7-8-5-3-4-6-9(8)11/h3-6H,2,7,12H2,1H3,(H,13,14)
InChIKeyBYYBMWBAPVLGJE-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.87
Rot. Bonds3

About N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide

N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide (PubChem CID 164646497) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(2-bromophenyl)-N'-ethylethanimidamide
PubChem CID164646497
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC NameN-amino-2-(2-bromophenyl)-N'-ethylethanimidamide
SMILESCC/N=C(/Cc1ccccc1Br)NN
InChIInChI=1S/C10H14BrN3/c1-2-13-10(14-12)7-8-5-3-4-6-9(8)11/h3-6H,2,7,12H2,1H3,(H,13,14)
InChIKeyBYYBMWBAPVLGJE-UHFFFAOYSA-N
XLogP1.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
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'}

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Related Compounds

(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
CID 89415418
2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912322
1-(2-bromophenyl)pentane-2,3-dione
CID 173141263
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-(2-bromophenyl)-3-(ethylamino)propan-2-one
CID 116562504
N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide
CID 123260709
N-[(2-bromophenyl)methyl]-2-methylidenebutan-1-amine
CID 66045694
1-[(2-bromophenyl)methylamino]butan-2-ol
CID 61401914
[2-(2-bromophenyl)acetyl] propanoate
CID 90987383
2-[(2-bromophenyl)methyl]prop-2-en-1-amine
CID 117266433
2-[(2-bromophenyl)methyl]-N-methylaniline
CID 67799221
1-(2-bromophenyl)-3-(propylamino)propan-2-one
CID 116562785

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide?
The IUPAC name of N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide (CID 164646497) is N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide.
What is the SMILES notation for N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide?
The canonical SMILES for N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide is CC/N=C(/Cc1ccccc1Br)NN.
What is the InChIKey of N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide?
The InChIKey is BYYBMWBAPVLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-2-13-10(14-12)7-8-5-3-4-6-9(8)11/h3-6H,2,7,12H2,1H3,(H,13,14).
What are the key properties of N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide?
N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide has a molecular weight of 256.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide is sourced from PubChem (CID 164646497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).