2-(3,4-dibromophenyl)-1-ethylazepan-3-amine

C14H20Br2N2 — CID 114077570

IUPAC2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1ccc(Br)c(Br)c1
InChIInChI=1S/C14H20Br2N2/c1-2-18-8-4-3-5-13(17)14(18)10-6-7-11(15)12(16)9-10/h6-7,9,13-14H,2-5,8,17H2,1H3
InChIKeyNYOOUDCZLPRHNS-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.09
Rot. Bonds2

About 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine

2-(3,4-dibromophenyl)-1-ethylazepan-3-amine (PubChem CID 114077570) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
PubChem CID114077570
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1ccc(Br)c(Br)c1
InChIInChI=1S/C14H20Br2N2/c1-2-18-8-4-3-5-13(17)14(18)10-6-7-11(15)12(16)9-10/h6-7,9,13-14H,2-5,8,17H2,1H3
InChIKeyNYOOUDCZLPRHNS-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-3-methylphenyl)-1-ethylazepan-3-yl]methanamine
CID 66479697
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
CID 65101555
2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-amine
CID 66478713
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
2-(3,5-difluorophenyl)-1-propylazepan-3-amine
CID 106534377
2-(3-bromo-4-methylphenyl)-1-tert-butylazepan-3-amine
CID 105411556
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
(2S,3S)-1-ethyl-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 95359026

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine?
The IUPAC name of 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine (CID 114077570) is 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine.
What is the SMILES notation for 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine?
The canonical SMILES for 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine is CCN1CCCCC(N)C1c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine?
The InChIKey is NYOOUDCZLPRHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-2-18-8-4-3-5-13(17)14(18)10-6-7-11(15)12(16)9-10/h6-7,9,13-14H,2-5,8,17H2,1H3.
What are the key properties of 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine?
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine has a molecular weight of 376.14 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)-1-ethylazepan-3-amine is sourced from PubChem (CID 114077570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).