2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol

C16H19NO2 — CID 60878238

IUPAC2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
SMILESCC(N)c1ccccc1OCC(O)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-12(17)14-9-5-6-10-16(14)19-11-15(18)13-7-3-2-4-8-13/h2-10,12,15,18H,11,17H2,1H3
InChIKeyWXXMSJTWNKLSEY-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol

2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol (PubChem CID 60878238) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
PubChem CID60878238
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
SMILESCC(N)c1ccccc1OCC(O)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-12(17)14-9-5-6-10-16(14)19-11-15(18)13-7-3-2-4-8-13/h2-10,12,15,18H,11,17H2,1H3
InChIKeyWXXMSJTWNKLSEY-UHFFFAOYSA-N
XLogP2.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]-1-phenylethanol
CID 102947238
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-1-phenylethanol
CID 63367802
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63366958
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol?
The IUPAC name of 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol (CID 60878238) is 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol.
What is the SMILES notation for 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol?
The canonical SMILES for 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol is CC(N)c1ccccc1OCC(O)c1ccccc1.
What is the InChIKey of 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol?
The InChIKey is WXXMSJTWNKLSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(17)14-9-5-6-10-16(14)19-11-15(18)13-7-3-2-4-8-13/h2-10,12,15,18H,11,17H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol?
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol has a molecular weight of 257.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol is sourced from PubChem (CID 60878238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).