2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol

C13H20N2O2 — CID 83824446

IUPAC2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol
SMILESNCC(O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H20N2O2/c14-9-13(16)10-1-3-11(4-2-10)15-12-5-7-17-8-6-12/h1-4,12-13,15-16H,5-9,14H2
InChIKeyDNECVSFYXXTEBL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol

2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol (PubChem CID 83824446) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol
PubChem CID83824446
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol
SMILESNCC(O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H20N2O2/c14-9-13(16)10-1-3-11(4-2-10)15-12-5-7-17-8-6-12/h1-4,12-13,15-16H,5-9,14H2
InChIKeyDNECVSFYXXTEBL-UHFFFAOYSA-N
XLogP1.27
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol (CID 83824446) is 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol is NCC(O)c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol?
The InChIKey is DNECVSFYXXTEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-13(16)10-1-3-11(4-2-10)15-12-5-7-17-8-6-12/h1-4,12-13,15-16H,5-9,14H2.
What are the key properties of 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol?
2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(oxan-4-ylamino)phenyl]ethanol is sourced from PubChem (CID 83824446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).