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

C17H25Br2N — CID 65303142

IUPAC2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine
SMILESCNCCC1(CCc2cc(Br)ccc2Br)CCCCC1
InChIInChI=1S/C17H25Br2N/c1-20-12-11-17(8-3-2-4-9-17)10-7-14-13-15(18)5-6-16(14)19/h5-6,13,20H,2-4,7-12H2,1H3
InChIKeySTXSDSZFCCFVSD-UHFFFAOYSA-N
MW403.20 g/mol
LogP5.70
Rot. Bonds6

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

2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine (PubChem CID 65303142) has the molecular formula C17H25Br2N and a molecular weight of 403.20 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine
PubChem CID65303142
Molecular FormulaC17H25Br2N
Molecular Weight403.20 g/mol
Exact Mass401.04
IUPAC Name2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine
SMILESCNCCC1(CCc2cc(Br)ccc2Br)CCCCC1
InChIInChI=1S/C17H25Br2N/c1-20-12-11-17(8-3-2-4-9-17)10-7-14-13-15(18)5-6-16(14)19/h5-6,13,20H,2-4,7-12H2,1H3
InChIKeySTXSDSZFCCFVSD-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.20
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(2,5-dibromophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304755
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
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
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]cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine (CID 65303142) is 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine is CNCCC1(CCc2cc(Br)ccc2Br)CCCCC1.
What is the InChIKey of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine?
The InChIKey is STXSDSZFCCFVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br2N/c1-20-12-11-17(8-3-2-4-9-17)10-7-14-13-15(18)5-6-16(14)19/h5-6,13,20H,2-4,7-12H2,1H3.
What are the key properties of 2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine?
2-[1-[2-(2,5-dibromophenyl)ethyl]cyclohexyl]-N-methylethanamine has a molecular weight of 403.20 g/mol, XLogP of 5.70, 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]cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 65303142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).