N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide

C11H15BrN2 — CID 63174422

IUPACN'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide
SMILESCc1cc(Br)ccc1/N=C(/N)C(C)C
InChIInChI=1S/C11H15BrN2/c1-7(2)11(13)14-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H2,13,14)
InChIKeyLWZAMJRXWFEDOX-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.40
Rot. Bonds2

About N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide

N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide (PubChem CID 63174422) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide
PubChem CID63174422
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC NameN'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide
SMILESCc1cc(Br)ccc1/N=C(/N)C(C)C
InChIInChI=1S/C11H15BrN2/c1-7(2)11(13)14-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H2,13,14)
InChIKeyLWZAMJRXWFEDOX-UHFFFAOYSA-N
XLogP3.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.40
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

1,2-bis(4-bromo-2-methylphenyl)guanidine
CID 14125583
N'-(2,4-dichlorophenyl)-2-methylpropanimidamide
CID 63174312
N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide
CID 63179047
2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine
CID 62482082
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
2-(2,4-dibromophenyl)-1-hydroxyguanidine
CID 62481697
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923
N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide
CID 174010487
2-(4-bromo-2-ethylphenyl)-1-hydroxyguanidine
CID 81286979

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide (CID 63174422) is N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide is Cc1cc(Br)ccc1/N=C(/N)C(C)C.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide?
The InChIKey is LWZAMJRXWFEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7(2)11(13)14-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H2,13,14).
What are the key properties of N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide?
N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide has a molecular weight of 255.16 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide is sourced from PubChem (CID 63174422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).