1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine

C15H21BrClN — CID 113337189

IUPAC1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClN/c1-2-18-15(9-11-5-3-4-6-11)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyRFCWLNMAWNTODH-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.33
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine

1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine (PubChem CID 113337189) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
PubChem CID113337189
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClN/c1-2-18-15(9-11-5-3-4-6-11)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyRFCWLNMAWNTODH-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 115567623
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
1-(3,4-dichlorophenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105077128
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine (CID 113337189) is 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine is CCNC(CC1CCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine?
The InChIKey is RFCWLNMAWNTODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-2-18-15(9-11-5-3-4-6-11)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,2-6,9H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine?
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine has a molecular weight of 330.70 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 113337189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).