2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol

C16H18ClNO2 — CID 107712203

IUPAC2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol
SMILESNCC(Oc1ccccc1CCO)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2/c17-14-7-5-13(6-8-14)16(11-18)20-15-4-2-1-3-12(15)9-10-19/h1-8,16,19H,9-11,18H2
InChIKeyNIFFRTVNFOMNTF-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.95
Rot. Bonds6

About 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol

2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol (PubChem CID 107712203) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol
PubChem CID107712203
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol
SMILESNCC(Oc1ccccc1CCO)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2/c17-14-7-5-13(6-8-14)16(11-18)20-15-4-2-1-3-12(15)9-10-19/h1-8,16,19H,9-11,18H2
InChIKeyNIFFRTVNFOMNTF-UHFFFAOYSA-N
XLogP2.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol (CID 107712203) is 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol is NCC(Oc1ccccc1CCO)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol?
The InChIKey is NIFFRTVNFOMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-14-7-5-13(6-8-14)16(11-18)20-15-4-2-1-3-12(15)9-10-19/h1-8,16,19H,9-11,18H2.
What are the key properties of 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol?
2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol has a molecular weight of 291.78 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107712203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).