5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide

C17H19BrN2O — CID 114893289

IUPAC5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H19BrN2O/c1-10(2)12-5-4-11(3)16(8-12)21-15-7-6-13(18)9-14(15)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyXPNZHDFMECLPMN-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.96
Rot. Bonds4

About 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide

5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 114893289) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID114893289
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H19BrN2O/c1-10(2)12-5-4-11(3)16(8-12)21-15-7-6-13(18)9-14(15)17(19)20/h4-10H,1-3H3,(H3,19,20)
InChIKeyXPNZHDFMECLPMN-UHFFFAOYSA-N
XLogP4.96
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.96
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

4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 114893362
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
4-(5-bromo-2-methylphenoxy)-3-chlorobenzenecarboximidamide
CID 107284677
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
5-bromo-2-(4-propan-2-ylphenyl)sulfanylbenzenecarboximidamide
CID 114893597
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide (CID 114893289) is 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is XPNZHDFMECLPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-10(2)12-5-4-11(3)16(8-12)21-15-7-6-13(18)9-14(15)17(19)20/h4-10H,1-3H3,(H3,19,20).
What are the key properties of 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide?
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 347.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 114893289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).