3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide

C15H23BrN2O2 — CID 60925413

IUPAC3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-4-18(5-2)15(19)8-9-17-11-12-10-13(16)6-7-14(12)20-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyMWUWKKXUMCPVMX-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.81
Rot. Bonds8

About 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide

3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 60925413) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID60925413
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cc(Br)ccc1OC
InChIInChI=1S/C15H23BrN2O2/c1-4-18(5-2)15(19)8-9-17-11-12-10-13(16)6-7-14(12)20-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyMWUWKKXUMCPVMX-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448
N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 60925508
(E)-N-[(5-bromo-2-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629087
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 106844843
2-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]-N,N-diethylacetamide
CID 115593652
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide (CID 60925413) is 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1cc(Br)ccc1OC.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is MWUWKKXUMCPVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-18(5-2)15(19)8-9-17-11-12-10-13(16)6-7-14(12)20-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide?
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60925413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).