1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine

C18H30BrNO — CID 43493531

IUPAC1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cc(Br)ccc1OCC
InChIInChI=1S/C18H30BrNO/c1-5-9-10-14(6-2)18(20-7-3)16-13-15(19)11-12-17(16)21-8-4/h11-14,18,20H,5-10H2,1-4H3
InChIKeyHJGHUPUXALJQLG-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.71
Rot. Bonds10

About 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine

1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine (PubChem CID 43493531) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
PubChem CID43493531
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cc(Br)ccc1OCC
InChIInChI=1S/C18H30BrNO/c1-5-9-10-14(6-2)18(20-7-3)16-13-15(19)11-12-17(16)21-8-4/h11-14,18,20H,5-10H2,1-4H3
InChIKeyHJGHUPUXALJQLG-UHFFFAOYSA-N
XLogP5.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43493527
1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 63505527
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820
1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43482220
4-bromo-2-(1-chlorooctyl)-1-ethoxybenzene
CID 63434571
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine (CID 43493531) is 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine is CCCCC(CC)C(NCC)c1cc(Br)ccc1OCC.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine?
The InChIKey is HJGHUPUXALJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-5-9-10-14(6-2)18(20-7-3)16-13-15(19)11-12-17(16)21-8-4/h11-14,18,20H,5-10H2,1-4H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine?
1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 43493531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).