1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine

C14H20BrN — CID 104987248

IUPAC1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H20BrN/c1-4-6-7-14(16-5-2)12-8-11(3)9-13(15)10-12/h4,8-10,14,16H,1,5-7H2,2-3H3
InChIKeyGCDIACLZTSWNBT-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.37
Rot. Bonds6

About 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine

1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine (PubChem CID 104987248) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
PubChem CID104987248
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H20BrN/c1-4-6-7-14(16-5-2)12-8-11(3)9-13(15)10-12/h4,8-10,14,16H,1,5-7H2,2-3H3
InChIKeyGCDIACLZTSWNBT-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.37
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-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107975611
1-(3-bromo-5-methylphenyl)-N-ethylhex-4-yn-1-amine
CID 105037089
1-(3-bromo-5-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033647
1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
CID 112754827
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
CID 107012214
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842312
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
1-(3-bromo-5-chlorophenyl)pent-4-enylhydrazine
CID 107948273

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine (CID 104987248) is 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine?
The InChIKey is GCDIACLZTSWNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-4-6-7-14(16-5-2)12-8-11(3)9-13(15)10-12/h4,8-10,14,16H,1,5-7H2,2-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine?
1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine has a molecular weight of 282.23 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 104987248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).