N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine

C16H23Br2N — CID 63448416

IUPACN-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCCC1CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H23Br2N/c1-12(15-8-7-14(17)11-16(15)18)19-10-9-13-5-3-2-4-6-13/h7-8,11-13,19H,2-6,9-10H2,1H3
InChIKeyIGIJOHATLTUPBV-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.83
Rot. Bonds5

About N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine

N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine (PubChem CID 63448416) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
PubChem CID63448416
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC NameN-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCCC1CCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H23Br2N/c1-12(15-8-7-14(17)11-16(15)18)19-10-9-13-5-3-2-4-6-13/h7-8,11-13,19H,2-6,9-10H2,1H3
InChIKeyIGIJOHATLTUPBV-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032
[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
CID 114193446
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine (CID 63448416) is N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine is CC(NCCC1CCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is IGIJOHATLTUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-12(15-8-7-14(17)11-16(15)18)19-10-9-13-5-3-2-4-6-13/h7-8,11-13,19H,2-6,9-10H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine?
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 389.18 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 63448416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).