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

C11H13BrClN — CID 107946193

IUPAC1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-3-11(14-4-2)8-5-9(12)7-10(13)6-8/h3,5-7,11,14H,1,4H2,2H3
InChIKeyMFASOLTXIOXPFM-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.94
Rot. Bonds4

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

1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine (PubChem CID 107946193) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine
PubChem CID107946193
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-3-11(14-4-2)8-5-9(12)7-10(13)6-8/h3,5-7,11,14H,1,4H2,2H3
InChIKeyMFASOLTXIOXPFM-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001020
1-(4-bromo-3,5-dimethylphenyl)-N-ethylprop-2-en-1-amine
CID 114330650
1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000917
1-(3-bromo-5-chlorophenyl)-N-ethylbut-3-yn-1-amine
CID 107944942
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 114894862
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
N-[(3-bromo-5-chlorophenyl)-(cyclopenten-1-yl)methyl]ethanamine
CID 107950541
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine (CID 107946193) is 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine is C=CC(NCC)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is MFASOLTXIOXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-3-11(14-4-2)8-5-9(12)7-10(13)6-8/h3,5-7,11,14H,1,4H2,2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine?
1-(3-bromo-5-chlorophenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.94, 4 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-ethylprop-2-en-1-amine is sourced from PubChem (CID 107946193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).