2-[1-(4-phenoxyphenyl)ethoxy]ethanamine

C16H19NO2 — CID 112512699

IUPAC2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
SMILESCC(OCCN)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-13(18-12-11-17)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3
InChIKeyLSSRVRIKGLFTMZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.52
Rot. Bonds6

About 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine

2-[1-(4-phenoxyphenyl)ethoxy]ethanamine (PubChem CID 112512699) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
PubChem CID112512699
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
SMILESCC(OCCN)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c1-13(18-12-11-17)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3
InChIKeyLSSRVRIKGLFTMZ-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
CID 82282338
[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
CID 43254276
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
CID 124500369
1-(5-methylhexan-3-yl)-4-phenoxybenzene
CID 144899033
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-(2-bromoethoxy)ethylbenzene
CID 24688557
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
4-amino-1-(4-phenoxyphenyl)butane-1,2-diol
CID 171882229
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine?
The IUPAC name of 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine (CID 112512699) is 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine is CC(OCCN)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine?
The InChIKey is LSSRVRIKGLFTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13(18-12-11-17)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-10,13H,11-12,17H2,1H3.
What are the key properties of 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine?
2-[1-(4-phenoxyphenyl)ethoxy]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenoxyphenyl)ethoxy]ethanamine is sourced from PubChem (CID 112512699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).