1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine

C11H15BrClN — CID 114979228

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-3-11(14-4-2)9-6-5-8(12)7-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyQCSUOHYDSSBFKZ-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine

1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine (PubChem CID 114979228) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
PubChem CID114979228
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-3-11(14-4-2)9-6-5-8(12)7-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyQCSUOHYDSSBFKZ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-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-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine
CID 82779873

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine (CID 114979228) is 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine is CCNC(CC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is QCSUOHYDSSBFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-3-11(14-4-2)9-6-5-8(12)7-10(9)13/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine?
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 276.61 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 114979228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).