[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol

C15H16ClNO2 — CID 78947451

IUPAC[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol
SMILESC[C@@H](N)c1ccc(Oc2ccccc2CO)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10(17)11-6-7-15(13(16)8-11)19-14-5-3-2-4-12(14)9-18/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1
InChIKeyDSRNXFBIXXQXIN-SNVBAGLBSA-N
MW277.75 g/mol
LogP3.64
Rot. Bonds4

About [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol

[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol (PubChem CID 78947451) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol
PubChem CID78947451
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol
SMILESC[C@@H](N)c1ccc(Oc2ccccc2CO)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-10(17)11-6-7-15(13(16)8-11)19-14-5-3-2-4-12(14)9-18/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1
InChIKeyDSRNXFBIXXQXIN-SNVBAGLBSA-N
XLogP3.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol?
The IUPAC name of [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol (CID 78947451) is [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol.
What is the SMILES notation for [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol?
The canonical SMILES for [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol is C[C@@H](N)c1ccc(Oc2ccccc2CO)c(Cl)c1.
What is the InChIKey of [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol?
The InChIKey is DSRNXFBIXXQXIN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10(17)11-6-7-15(13(16)8-11)19-14-5-3-2-4-12(14)9-18/h2-8,10,18H,9,17H2,1H3/t10-/m1/s1.
What are the key properties of [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol?
[2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]phenyl]methanol is sourced from PubChem (CID 78947451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).