(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol

C16H19NO3 — CID 130373001

IUPAC(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
SMILESNCCOc1cccc(OC[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C16H19NO3/c17-9-10-19-14-7-4-8-15(11-14)20-12-16(18)13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12,17H2/t16-/m1/s1
InChIKeyCTIMXULGZPCQHQ-MRXNPFEDSA-N
MW273.33 g/mol
LogP2.14
Rot. Bonds7

About (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol

(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol (PubChem CID 130373001) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
PubChem CID130373001
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
SMILESNCCOc1cccc(OC[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C16H19NO3/c17-9-10-19-14-7-4-8-15(11-14)20-12-16(18)13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12,17H2/t16-/m1/s1
InChIKeyCTIMXULGZPCQHQ-MRXNPFEDSA-N
XLogP2.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
CID 109414098
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol
CID 79776187
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107675226
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
1-amino-3-(3-phenoxyphenoxy)propan-2-ol
CID 18593122

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol?
The IUPAC name of (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol (CID 130373001) is (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol?
The canonical SMILES for (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol is NCCOc1cccc(OC[C@@H](O)c2ccccc2)c1.
What is the InChIKey of (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol?
The InChIKey is CTIMXULGZPCQHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO3/c17-9-10-19-14-7-4-8-15(11-14)20-12-16(18)13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12,17H2/t16-/m1/s1.
What are the key properties of (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol?
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol has a molecular weight of 273.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol is sourced from PubChem (CID 130373001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).