2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

C18H22BrNO — CID 19105

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IUPAC2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyURSRSKSNFPUKGH-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.29
Rot. Bonds6

About 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (PubChem CID 19105) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
PubChem CID19105
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyURSRSKSNFPUKGH-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Bromodiphenhydramine Hydrochloride
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Emetonium iodide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (CID 19105) is 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine is CN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The InChIKey is URSRSKSNFPUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 19105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).