N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine

C16H24Br2N2 — CID 63454032

IUPACN-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCCN1CCCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2N2/c1-13(15-7-6-14(17)12-16(15)18)19-8-11-20-9-4-2-3-5-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3
InChIKeyHWDMSRVCRLYRNX-UHFFFAOYSA-N
MW404.19 g/mol
LogP4.74
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine

N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine (PubChem CID 63454032) has the molecular formula C16H24Br2N2 and a molecular weight of 404.19 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
PubChem CID63454032
Molecular FormulaC16H24Br2N2
Molecular Weight404.19 g/mol
Exact Mass402.03
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCCN1CCCCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2N2/c1-13(15-7-6-14(17)12-16(15)18)19-8-11-20-9-4-2-3-5-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3
InChIKeyHWDMSRVCRLYRNX-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.19
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781439
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 82963871
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine (CID 63454032) is N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine is CC(NCCN1CCCCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is HWDMSRVCRLYRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2/c1-13(15-7-6-14(17)12-16(15)18)19-8-11-20-9-4-2-3-5-10-20/h6-7,12-13,19H,2-5,8-11H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine?
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 404.19 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 63454032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).