N-(4-phenylmethoxyphenoxy)ethanamine

C15H17NO2 — CID 88801073

IUPACN-(4-phenylmethoxyphenoxy)ethanamine
SMILESCCNOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c1-2-16-18-15-10-8-14(9-11-15)17-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyQLNIOVHQDLXESJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.17
Rot. Bonds6

About N-(4-phenylmethoxyphenoxy)ethanamine

N-(4-phenylmethoxyphenoxy)ethanamine (PubChem CID 88801073) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenoxy)ethanamine
PubChem CID88801073
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(4-phenylmethoxyphenoxy)ethanamine
SMILESCCNOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c1-2-16-18-15-10-8-14(9-11-15)17-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyQLNIOVHQDLXESJ-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.17
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

ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
phenoxymethylbenzene;tetradecane
CID 175006528
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-phenylmethoxyaniline
CID 159966727

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenoxy)ethanamine?
The IUPAC name of N-(4-phenylmethoxyphenoxy)ethanamine (CID 88801073) is N-(4-phenylmethoxyphenoxy)ethanamine.
What is the SMILES notation for N-(4-phenylmethoxyphenoxy)ethanamine?
The canonical SMILES for N-(4-phenylmethoxyphenoxy)ethanamine is CCNOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenoxy)ethanamine?
The InChIKey is QLNIOVHQDLXESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-16-18-15-10-8-14(9-11-15)17-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3.
What are the key properties of N-(4-phenylmethoxyphenoxy)ethanamine?
N-(4-phenylmethoxyphenoxy)ethanamine has a molecular weight of 243.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenoxy)ethanamine is sourced from PubChem (CID 88801073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).