1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine

C14H21BrClN — CID 115834587

IUPAC1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H21BrClN/c1-4-17-14(8-5-10(2)3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyZFNKXQTYVUQVRJ-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.19
Rot. Bonds6

About 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine

1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 115834587) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID115834587
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H21BrClN/c1-4-17-14(8-5-10(2)3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyZFNKXQTYVUQVRJ-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
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1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
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N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
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2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
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CID 104993366

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine (CID 115834587) is 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine is CCNC(CCC(C)C)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is ZFNKXQTYVUQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-4-17-14(8-5-10(2)3)12-9-11(15)6-7-13(12)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine?
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 318.69 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 115834587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).