N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide

C12H15BrN2 — CID 155460722

IUPACN-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide
SMILES[H]/N=C/N(c1ccc(Br)cc1CC)C1CC1
InChIInChI=1S/C12H15BrN2/c1-2-9-7-10(13)3-6-12(9)15(8-14)11-4-5-11/h3,6-8,11,14H,2,4-5H2,1H3/b14-8+
InChIKeyWCWCRBAYCRPBLL-RIYZIHGNSA-N
MW267.17 g/mol
LogP3.59
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide

N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide (PubChem CID 155460722) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide
PubChem CID155460722
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC NameN-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide
SMILES[H]/N=C/N(c1ccc(Br)cc1CC)C1CC1
InChIInChI=1S/C12H15BrN2/c1-2-9-7-10(13)3-6-12(9)15(8-14)11-4-5-11/h3,6-8,11,14H,2,4-5H2,1H3/b14-8+
InChIKeyWCWCRBAYCRPBLL-RIYZIHGNSA-N
XLogP3.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide (CID 155460722) is N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide is [H]/N=C/N(c1ccc(Br)cc1CC)C1CC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide?
The InChIKey is WCWCRBAYCRPBLL-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-2-9-7-10(13)3-6-12(9)15(8-14)11-4-5-11/h3,6-8,11,14H,2,4-5H2,1H3/b14-8+.
What are the key properties of N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide?
N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide has a molecular weight of 267.17 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-N-cyclopropylmethanimidamide is sourced from PubChem (CID 155460722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).