2-(4-bromophenyl)-N,N-diethylethanamine

C12H18BrN — CID 22266707

IUPAC2-(4-bromophenyl)-N,N-diethylethanamine
SMILESCCN(CC)CCc1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-3-14(4-2)10-9-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyFZDGIJLUYNFNME-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.33
Rot. Bonds5

About 2-(4-bromophenyl)-N,N-diethylethanamine

2-(4-bromophenyl)-N,N-diethylethanamine (PubChem CID 22266707) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N,N-diethylethanamine
PubChem CID22266707
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-(4-bromophenyl)-N,N-diethylethanamine
SMILESCCN(CC)CCc1ccc(Br)cc1
InChIInChI=1S/C12H18BrN/c1-3-14(4-2)10-9-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyFZDGIJLUYNFNME-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
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4-Bromo-N,N-dimethylbenzylamine
CID 235757
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N,N-diethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-N,N-diethylethanamine (CID 22266707) is 2-(4-bromophenyl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N,N-diethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N,N-diethylethanamine is CCN(CC)CCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N,N-diethylethanamine?
The InChIKey is FZDGIJLUYNFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-14(4-2)10-9-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N,N-diethylethanamine?
2-(4-bromophenyl)-N,N-diethylethanamine has a molecular weight of 256.19 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N,N-diethylethanamine is sourced from PubChem (CID 22266707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).