2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride

C17H21BrClNO — CID 519514

IUPAC2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
InChIKeyZQDJSWUEGOYDGT-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.54
Rot. Bonds6

About 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride

2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride (PubChem CID 519514) has the molecular formula C17H21BrClNO and a molecular weight of 370.72 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
PubChem CID519514
Molecular FormulaC17H21BrClNO
Molecular Weight370.72 g/mol
Exact Mass369.05
IUPAC Name2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
InChIKeyZQDJSWUEGOYDGT-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride (CID 519514) is 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride is CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is ZQDJSWUEGOYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H.
What are the key properties of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride?
2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 370.72 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 519514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).