1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine

C11H13BrClN — CID 107946254

IUPAC1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-7(2)11(14-3)8-4-9(12)6-10(13)5-8/h4-6,11,14H,1H2,2-3H3
InChIKeyPGTZMGFOIYQGSK-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.94
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine

1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 107946254) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID107946254
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-7(2)11(14-3)8-4-9(12)6-10(13)5-8/h4-6,11,14H,1H2,2-3H3
InChIKeyPGTZMGFOIYQGSK-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
[1-(3,5-dichlorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105320101
1-(3,5-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005125
1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005497
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-(3-bromo-5-chlorophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 107946370
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
2-(3-bromo-5-chlorophenyl)propanoyl chloride
CID 57458809

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine (CID 107946254) is 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is PGTZMGFOIYQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-7(2)11(14-3)8-4-9(12)6-10(13)5-8/h4-6,11,14H,1H2,2-3H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 107946254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).