1-[4-(2-phenylethoxy)phenyl]ethanamine

C16H19NO — CID 16785512

IUPAC1-[4-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13(17)15-7-9-16(10-8-15)18-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12,17H2,1H3
InChIKeyYBLBNLVILWUHJM-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.33
Rot. Bonds5

About 1-[4-(2-phenylethoxy)phenyl]ethanamine

1-[4-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 16785512) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[4-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-phenylethoxy)phenyl]ethanamine
PubChem CID16785512
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[4-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13(17)15-7-9-16(10-8-15)18-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12,17H2,1H3
InChIKeyYBLBNLVILWUHJM-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
CID 78956495
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
CID 173321187
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-phenylethoxy)phenyl]ethanamine (CID 16785512) is 1-[4-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-phenylethoxy)phenyl]ethanamine is CC(N)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is YBLBNLVILWUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(17)15-7-9-16(10-8-15)18-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12,17H2,1H3.
What are the key properties of 1-[4-(2-phenylethoxy)phenyl]ethanamine?
1-[4-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 16785512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).