N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide

C17H22BrNO — CID 173344142

IUPACN,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide
SMILESBr.CN(C)Cc1ccccc1CCOc1ccccc1
InChIInChI=1S/C17H21NO.BrH/c1-18(2)14-16-9-7-6-8-15(16)12-13-19-17-10-4-3-5-11-17;/h3-11H,12-14H2,1-2H3;1H
InChIKeyOPBOJYHMNCLQOS-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.95
Rot. Bonds6

About N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide

N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide (PubChem CID 173344142) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide
PubChem CID173344142
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide
SMILESBr.CN(C)Cc1ccccc1CCOc1ccccc1
InChIInChI=1S/C17H21NO.BrH/c1-18(2)14-16-9-7-6-8-15(16)12-13-19-17-10-4-3-5-11-17;/h3-11H,12-14H2,1-2H3;1H
InChIKeyOPBOJYHMNCLQOS-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
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1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
2-(2-phenoxyethyl)benzamide
CID 68945309
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
2-phenoxyethylmercury
CID 163598363
CID 161224902
CID 161224902
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CID 18792707

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide?
The IUPAC name of N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide (CID 173344142) is N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide.
What is the SMILES notation for N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide?
The canonical SMILES for N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide is Br.CN(C)Cc1ccccc1CCOc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide?
The InChIKey is OPBOJYHMNCLQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.BrH/c1-18(2)14-16-9-7-6-8-15(16)12-13-19-17-10-4-3-5-11-17;/h3-11H,12-14H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide?
N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide has a molecular weight of 336.27 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide is sourced from PubChem (CID 173344142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).