1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one

C10H13NO3 — CID 174479734

IUPAC1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one
SMILESCCC(=O)c1c(O)cc(CN)cc1O
InChIInChI=1S/C10H13NO3/c1-2-7(12)10-8(13)3-6(5-11)4-9(10)14/h3-4,13-14H,2,5,11H2,1H3
InChIKeyGFICTOZOSYRPBC-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.15
Rot. Bonds3

About 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one

1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one (PubChem CID 174479734) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one
PubChem CID174479734
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one
SMILESCCC(=O)c1c(O)cc(CN)cc1O
InChIInChI=1S/C10H13NO3/c1-2-7(12)10-8(13)3-6(5-11)4-9(10)14/h3-4,13-14H,2,5,11H2,1H3
InChIKeyGFICTOZOSYRPBC-UHFFFAOYSA-N
XLogP1.15
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one?
The IUPAC name of 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one (CID 174479734) is 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one is CCC(=O)c1c(O)cc(CN)cc1O.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one?
The InChIKey is GFICTOZOSYRPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-7(12)10-8(13)3-6(5-11)4-9(10)14/h3-4,13-14H,2,5,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one?
1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one has a molecular weight of 195.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-dihydroxyphenyl]propan-1-one is sourced from PubChem (CID 174479734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).