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

C18H19NO — CID 62339674

IUPACN-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC#Cc2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-2-19-15-17-10-6-12-18(14-17)20-13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14,19H,2,13,15H2,1H3
InChIKeyWRHADWBOONVGSY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.23
Rot. Bonds5

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

N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine (PubChem CID 62339674) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
PubChem CID62339674
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC#Cc2ccccc2)c1
InChIInChI=1S/C18H19NO/c1-2-19-15-17-10-6-12-18(14-17)20-13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14,19H,2,13,15H2,1H3
InChIKeyWRHADWBOONVGSY-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

1-[3-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62339211
N-ethyl-1-[3-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340346
N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339166
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
1-chloro-3-(3-phenylprop-2-ynoxy)benzene
CID 64763813
3-(3-phenylprop-2-ynoxy)benzonitrile
CID 62341053
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine (CID 62339674) is N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCC#Cc2ccccc2)c1.
What is the InChIKey of N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
The InChIKey is WRHADWBOONVGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-19-15-17-10-6-12-18(14-17)20-13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14,19H,2,13,15H2,1H3.
What are the key properties of N-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine?
N-[[3-(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-[[3-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62339674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).