N-benzyl-2-(2-propoxyphenoxy)ethanamine

C18H23NO2 — CID 62573087

IUPACN-benzyl-2-(2-propoxyphenoxy)ethanamine
SMILESCCCOc1ccccc1OCCNCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-13-20-17-10-6-7-11-18(17)21-14-12-19-15-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3
InChIKeyAJHNFDFKDOKOOQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds9

About N-benzyl-2-(2-propoxyphenoxy)ethanamine

N-benzyl-2-(2-propoxyphenoxy)ethanamine (PubChem CID 62573087) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-2-(2-propoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-propoxyphenoxy)ethanamine
PubChem CID62573087
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-benzyl-2-(2-propoxyphenoxy)ethanamine
SMILESCCCOc1ccccc1OCCNCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-13-20-17-10-6-7-11-18(17)21-14-12-19-15-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3
InChIKeyAJHNFDFKDOKOOQ-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine;oxalic acid
CID 2922259
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
N-benzyl-2-[2-(3-methylbutyl)phenoxy]ethanamine
CID 54084041
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-propoxyphenoxy)ethanamine?
The IUPAC name of N-benzyl-2-(2-propoxyphenoxy)ethanamine (CID 62573087) is N-benzyl-2-(2-propoxyphenoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(2-propoxyphenoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(2-propoxyphenoxy)ethanamine is CCCOc1ccccc1OCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-propoxyphenoxy)ethanamine?
The InChIKey is AJHNFDFKDOKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-13-20-17-10-6-7-11-18(17)21-14-12-19-15-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3.
What are the key properties of N-benzyl-2-(2-propoxyphenoxy)ethanamine?
N-benzyl-2-(2-propoxyphenoxy)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-propoxyphenoxy)ethanamine is sourced from PubChem (CID 62573087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).