2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine

C18H30BrN — CID 82930865

IUPAC2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CNCC(C)C)c1ccccc1Br
InChIInChI=1S/C18H30BrN/c1-5-15(6-2)11-16(13-20-12-14(3)4)17-9-7-8-10-18(17)19/h7-10,14-16,20H,5-6,11-13H2,1-4H3
InChIKeyMWOQJCUXEGQZDT-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.60
Rot. Bonds9

About 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine

2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 82930865) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID82930865
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CNCC(C)C)c1ccccc1Br
InChIInChI=1S/C18H30BrN/c1-5-15(6-2)11-16(13-20-12-14(3)4)17-9-7-8-10-18(17)19/h7-10,14-16,20H,5-6,11-13H2,1-4H3
InChIKeyMWOQJCUXEGQZDT-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79448646
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
CID 66436074
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 79449044
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
2-(2-bromophenyl)-N-propylheptan-1-amine
CID 79449289

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine (CID 82930865) is 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine is CCC(CC)CC(CNCC(C)C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is MWOQJCUXEGQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-5-15(6-2)11-16(13-20-12-14(3)4)17-9-7-8-10-18(17)19/h7-10,14-16,20H,5-6,11-13H2,1-4H3.
What are the key properties of 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine?
2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 82930865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).