N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine

C16H19NO2 — CID 82707269

IUPACN-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
SMILESCONC(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-13(17-18-2)15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyDEZNUUFGYYNLLX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.48
Rot. Bonds6

About N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine

N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 82707269) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
PubChem CID82707269
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
SMILESCONC(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-13(17-18-2)15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyDEZNUUFGYYNLLX-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
2-ethyl-2-methylsulfanyl-N-[1-(4-phenylmethoxyphenyl)ethyl]butan-1-amine
CID 114115524
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine (CID 82707269) is N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine is CONC(C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is DEZNUUFGYYNLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13(17-18-2)15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine?
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 82707269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).