N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide

C11H15BrN2O — CID 174010487

IUPACN'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide
SMILESCC(C)C(N)=NC(O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-7(2)10(13)14-11(15)8-4-3-5-9(12)6-8/h3-7,11,15H,1-2H3,(H2,13,14)
InChIKeyKUMHPNRCTXENFR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.45
Rot. Bonds3

About N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide

N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide (PubChem CID 174010487) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide
PubChem CID174010487
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide
SMILESCC(C)C(N)=NC(O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-7(2)10(13)14-11(15)8-4-3-5-9(12)6-8/h3-7,11,15H,1-2H3,(H2,13,14)
InChIKeyKUMHPNRCTXENFR-UHFFFAOYSA-N
XLogP2.45
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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2-(3-bromophenyl)pentan-3-ol
CID 79298699
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
2-amino-3-(3-bromophenyl)butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide?
The IUPAC name of N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide (CID 174010487) is N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide is CC(C)C(N)=NC(O)c1cccc(Br)c1.
What is the InChIKey of N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide?
The InChIKey is KUMHPNRCTXENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7(2)10(13)14-11(15)8-4-3-5-9(12)6-8/h3-7,11,15H,1-2H3,(H2,13,14).
What are the key properties of N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide?
N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide has a molecular weight of 271.16 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide is sourced from PubChem (CID 174010487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).