1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine

C16H23BrClNO — CID 107946069

IUPAC1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H23BrClNO/c1-2-19-16(7-3-5-15-6-4-8-20-15)12-9-13(17)11-14(18)10-12/h9-11,15-16,19H,2-8H2,1H3
InChIKeyARGVDGQEORSWDA-UHFFFAOYSA-N
MW360.72 g/mol
LogP5.10
Rot. Bonds7

About 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine

1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 107946069) has the molecular formula C16H23BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID107946069
Molecular FormulaC16H23BrClNO
Molecular Weight360.72 g/mol
Exact Mass359.07
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H23BrClNO/c1-2-19-16(7-3-5-15-6-4-8-20-15)12-9-13(17)11-14(18)10-12/h9-11,15-16,19H,2-8H2,1H3
InChIKeyARGVDGQEORSWDA-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.72
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993366
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107993679
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(2,5-dibromophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993304
N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
CID 102923511
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine (CID 107946069) is 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine is CCNC(CCCC1CCCO1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is ARGVDGQEORSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-2-19-16(7-3-5-15-6-4-8-20-15)12-9-13(17)11-14(18)10-12/h9-11,15-16,19H,2-8H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 360.72 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 107946069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).