2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine

C11H13BrClN — CID 142912898

IUPAC2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNCCc1cccc(Cl)c1
InChIInChI=1S/C11H13BrClN/c1-9(12)8-14-6-5-10-3-2-4-11(13)7-10/h2-4,7,14H,1,5-6,8H2
InChIKeyRVLIPZCHEMKYOF-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.38
Rot. Bonds5

About 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine

2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 142912898) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine
PubChem CID142912898
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNCCc1cccc(Cl)c1
InChIInChI=1S/C11H13BrClN/c1-9(12)8-14-6-5-10-3-2-4-11(13)7-10/h2-4,7,14H,1,5-6,8H2
InChIKeyRVLIPZCHEMKYOF-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
2-bromo-N-(3-phenylpropyl)prop-2-en-1-amine
CID 60905254
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine (CID 142912898) is 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine is C=C(Br)CNCCc1cccc(Cl)c1.
What is the InChIKey of 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is RVLIPZCHEMKYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-9(12)8-14-6-5-10-3-2-4-11(13)7-10/h2-4,7,14H,1,5-6,8H2.
What are the key properties of 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-chlorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 142912898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).