2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine

C16H23Br2N — CID 65304755

IUPAC2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine
SMILESCNCCC1(CCc2cc(Br)ccc2Br)CCCC1
InChIInChI=1S/C16H23Br2N/c1-19-11-10-16(7-2-3-8-16)9-6-13-12-14(17)4-5-15(13)18/h4-5,12,19H,2-3,6-11H2,1H3
InChIKeyUKBAYRGVZNUZGH-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.31
Rot. Bonds6

About 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine

2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine (PubChem CID 65304755) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine
PubChem CID65304755
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC Name2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine
SMILESCNCCC1(CCc2cc(Br)ccc2Br)CCCC1
InChIInChI=1S/C16H23Br2N/c1-19-11-10-16(7-2-3-8-16)9-6-13-12-14(17)4-5-15(13)18/h4-5,12,19H,2-3,6-11H2,1H3
InChIKeyUKBAYRGVZNUZGH-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303142
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 105400316
2-[1-[2-(4,5-dibromothiophen-2-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 80535027
2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303461
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine
CID 114369384
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine
CID 65304962
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine (CID 65304755) is 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine is CNCCC1(CCc2cc(Br)ccc2Br)CCCC1.
What is the InChIKey of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine?
The InChIKey is UKBAYRGVZNUZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-19-11-10-16(7-2-3-8-16)9-6-13-12-14(17)4-5-15(13)18/h4-5,12,19H,2-3,6-11H2,1H3.
What are the key properties of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine?
2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine has a molecular weight of 389.18 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine is sourced from PubChem (CID 65304755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).