2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine

C17H28BrNO — CID 82929807

IUPAC2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCC(CC)CC(CNCCOC)c1cccc(Br)c1
InChIInChI=1S/C17H28BrNO/c1-4-14(5-2)11-16(13-19-9-10-20-3)15-7-6-8-17(18)12-15/h6-8,12,14,16,19H,4-5,9-11,13H2,1-3H3
InChIKeyQSWILZKGUFKCIG-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.59
Rot. Bonds10

About 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine

2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 82929807) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
PubChem CID82929807
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCC(CC)CC(CNCCOC)c1cccc(Br)c1
InChIInChI=1S/C17H28BrNO/c1-4-14(5-2)11-16(13-19-9-10-20-3)15-7-6-8-17(18)12-15/h6-8,12,14,16,19H,4-5,9-11,13H2,1-3H3
InChIKeyQSWILZKGUFKCIG-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457166
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine (CID 82929807) is 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine is CCC(CC)CC(CNCCOC)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is QSWILZKGUFKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-14(5-2)11-16(13-19-9-10-20-3)15-7-6-8-17(18)12-15/h6-8,12,14,16,19H,4-5,9-11,13H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 82929807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).