1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C17H24BrClN2 — CID 82775892

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCC(NCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H24BrClN2/c1-4-10-21(11-5-2)12-9-17(20-6-3)15-8-7-14(18)13-16(15)19/h4-5,7-8,13,17,20H,1-2,6,9-12H2,3H3
InChIKeyVQJVJLLXCKOWTQ-UHFFFAOYSA-N
MW371.75 g/mol
LogP4.82
Rot. Bonds10

About 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 82775892) has the molecular formula C17H24BrClN2 and a molecular weight of 371.75 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID82775892
Molecular FormulaC17H24BrClN2
Molecular Weight371.75 g/mol
Exact Mass370.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CCC(NCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H24BrClN2/c1-4-10-21(11-5-2)12-9-17(20-6-3)15-8-7-14(18)13-16(15)19/h4-5,7-8,13,17,20H,1-2,6,9-12H2,3H3
InChIKeyVQJVJLLXCKOWTQ-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
CID 82776155
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 82775892) is 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CCC(NCC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is VQJVJLLXCKOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrClN2/c1-4-10-21(11-5-2)12-9-17(20-6-3)15-8-7-14(18)13-16(15)19/h4-5,7-8,13,17,20H,1-2,6,9-12H2,3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 371.75 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 82775892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).