N-[2-(2-benzylphenoxy)ethyl]propan-2-amine

C18H23NO — CID 62598105

IUPACN-[2-(2-benzylphenoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-15(2)19-12-13-20-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyBPGMRUKSGNYHEM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(2-benzylphenoxy)ethyl]propan-2-amine

N-[2-(2-benzylphenoxy)ethyl]propan-2-amine (PubChem CID 62598105) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(2-benzylphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-benzylphenoxy)ethyl]propan-2-amine
PubChem CID62598105
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(2-benzylphenoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-15(2)19-12-13-20-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3
InChIKeyBPGMRUKSGNYHEM-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.65
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

2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 69276301
2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
CID 2231870
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
1-(2-benzylphenoxy)propan-2-yl-diethyl-methylazanium iodide
CID 23780
2-(2-benzylphenoxy)ethyl-[2-[2-(2-benzylphenoxy)ethyl-diethylazaniumyl]ethyl]-diethylazanium
CID 4117707
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
2-(2-benzylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7380062
N-benzyl-2-[2-(3-methylbutyl)phenoxy]ethanamine
CID 54084041
1-(2-benzylphenoxy)propan-2-yl-diethyl-methylazanium
CID 23781
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylphenoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-benzylphenoxy)ethyl]propan-2-amine (CID 62598105) is N-[2-(2-benzylphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-benzylphenoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-benzylphenoxy)ethyl]propan-2-amine is CC(C)NCCOc1ccccc1Cc1ccccc1.
What is the InChIKey of N-[2-(2-benzylphenoxy)ethyl]propan-2-amine?
The InChIKey is BPGMRUKSGNYHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(2)19-12-13-20-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of N-[2-(2-benzylphenoxy)ethyl]propan-2-amine?
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylphenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62598105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).