5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline

C15H23BrN2 — CID 82968474

IUPAC5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
SMILESC=CCN(CC)c1cc(Br)ccc1C(C)NCC
InChIInChI=1S/C15H23BrN2/c1-5-10-18(7-3)15-11-13(16)8-9-14(15)12(4)17-6-2/h5,8-9,11-12,17H,1,6-7,10H2,2-4H3
InChIKeyJUGJUZWSZICEQR-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.13
Rot. Bonds7

About 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline

5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline (PubChem CID 82968474) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
PubChem CID82968474
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
SMILESC=CCN(CC)c1cc(Br)ccc1C(C)NCC
InChIInChI=1S/C15H23BrN2/c1-5-10-18(7-3)15-11-13(16)8-9-14(15)12(4)17-6-2/h5,8-9,11-12,17H,1,6-7,10H2,2-4H3
InChIKeyJUGJUZWSZICEQR-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.13
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

5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
3-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-prop-2-enylaniline
CID 114069204
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
5-[bis(prop-2-enyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600227
N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
CID 114058766
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892
1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline?
The IUPAC name of 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline (CID 82968474) is 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline.
What is the SMILES notation for 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline?
The canonical SMILES for 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline is C=CCN(CC)c1cc(Br)ccc1C(C)NCC.
What is the InChIKey of 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline?
The InChIKey is JUGJUZWSZICEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-5-10-18(7-3)15-11-13(16)8-9-14(15)12(4)17-6-2/h5,8-9,11-12,17H,1,6-7,10H2,2-4H3.
What are the key properties of 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline?
5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline has a molecular weight of 311.27 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline is sourced from PubChem (CID 82968474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).