2-(2-benzylphenoxy)-N-methylethanamine

C16H19NO — CID 12660328

IUPAC2-(2-benzylphenoxy)-N-methylethanamine
SMILESCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-17-11-12-18-16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKeyNRRDBRZMTQOKQJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-benzylphenoxy)-N-methylethanamine

2-(2-benzylphenoxy)-N-methylethanamine (PubChem CID 12660328) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-methylethanamine
PubChem CID12660328
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(2-benzylphenoxy)-N-methylethanamine
SMILESCNCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-17-11-12-18-16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKeyNRRDBRZMTQOKQJ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.88
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

5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 69276301
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine;hydrochloride
CID 12660350
2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
CID 2231870
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245
2-(2-benzylphenoxy)ethyl-[2-[2-(2-benzylphenoxy)ethyl-diethylazaniumyl]ethyl]-diethylazanium
CID 4117707
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-methylethanamine?
The IUPAC name of 2-(2-benzylphenoxy)-N-methylethanamine (CID 12660328) is 2-(2-benzylphenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-methylethanamine?
The canonical SMILES for 2-(2-benzylphenoxy)-N-methylethanamine is CNCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-methylethanamine?
The InChIKey is NRRDBRZMTQOKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17-11-12-18-16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3.
What are the key properties of 2-(2-benzylphenoxy)-N-methylethanamine?
2-(2-benzylphenoxy)-N-methylethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-methylethanamine is sourced from PubChem (CID 12660328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).