N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine

C18H19NO — CID 62339166

IUPACN-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCC#Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-2-19-15-17-12-6-7-13-18(17)20-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,19H,2,14-15H2,1H3
InChIKeyJTJQYVJSWZNRCS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.23
Rot. Bonds5

About N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine

N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine (PubChem CID 62339166) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
PubChem CID62339166
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCC#Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-2-19-15-17-12-6-7-13-18(17)20-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,19H,2,14-15H2,1H3
InChIKeyJTJQYVJSWZNRCS-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 107695708
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107713342
N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62340509
N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339674
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
CID 62340507
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine (CID 62339166) is N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OCC#Cc1ccccc1.
What is the InChIKey of N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
The InChIKey is JTJQYVJSWZNRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-19-15-17-12-6-7-13-18(17)20-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,19H,2,14-15H2,1H3.
What are the key properties of N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62339166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).