3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine

C14H19Br2NO — CID 79348115

IUPAC3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
SMILESCCCOc1c(Br)cc(Br)cc1C=CCNCC
InChIInChI=1S/C14H19Br2NO/c1-3-8-18-14-11(6-5-7-17-4-2)9-12(15)10-13(14)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyWAQQFSLQFMCKHG-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.62
Rot. Bonds7

About 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine

3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine (PubChem CID 79348115) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
PubChem CID79348115
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
SMILESCCCOc1c(Br)cc(Br)cc1C=CCNCC
InChIInChI=1S/C14H19Br2NO/c1-3-8-18-14-11(6-5-7-17-4-2)9-12(15)10-13(14)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyWAQQFSLQFMCKHG-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
1,5-dibromo-3-[(E)-2-nitroethenyl]-2-propoxybenzene
CID 55017468
2-[(3,5-dibromo-2-propoxyphenyl)methylidene]butanal
CID 79335525
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79347276
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
3-(5-bromo-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 79347023
3-(3,5-dibromo-4-ethoxyphenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340767
1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214465
3,5-dibromo-2-propoxybenzoic acid
CID 8707159
N-[(5Z)-5-[(3,5-dibromo-2-propoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6001454

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine (CID 79348115) is 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine is CCCOc1c(Br)cc(Br)cc1C=CCNCC.
What is the InChIKey of 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is WAQQFSLQFMCKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-3-8-18-14-11(6-5-7-17-4-2)9-12(15)10-13(14)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine?
3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 377.12 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 79348115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).