2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine

C12H20N2O2 — CID 159852877

IUPAC2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN.O=C(CO)c1ccccc1
InChIInChI=1S/C8H8O2.C4H12N2/c9-6-8(10)7-4-2-1-3-5-7;1-4(2,6)3-5/h1-5,9H,6H2;3,5-6H2,1-2H3
InChIKeyNQDWDKUWWYHTPW-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.54
Rot. Bonds3

About 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine

2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine (PubChem CID 159852877) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine
PubChem CID159852877
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN.O=C(CO)c1ccccc1
InChIInChI=1S/C8H8O2.C4H12N2/c9-6-8(10)7-4-2-1-3-5-7;1-4(2,6)3-5/h1-5,9H,6H2;3,5-6H2,1-2H3
InChIKeyNQDWDKUWWYHTPW-UHFFFAOYSA-N
XLogP0.54
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine?
The IUPAC name of 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine (CID 159852877) is 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine?
The canonical SMILES for 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine is CC(C)(N)CN.O=C(CO)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine?
The InChIKey is NQDWDKUWWYHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H12N2/c9-6-8(10)7-4-2-1-3-5-7;1-4(2,6)3-5/h1-5,9H,6H2;3,5-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine?
2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenylethanone;2-methylpropane-1,2-diamine is sourced from PubChem (CID 159852877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).