1-[3-(aminomethyl)phenyl]propane-1,2,3-triol

C10H15NO3 — CID 170817590

IUPAC1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
SMILESNCc1cccc(C(O)C(O)CO)c1
InChIInChI=1S/C10H15NO3/c11-5-7-2-1-3-8(4-7)10(14)9(13)6-12/h1-4,9-10,12-14H,5-6,11H2
InChIKeyPJBXVOPEXURKOI-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.47
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol

1-[3-(aminomethyl)phenyl]propane-1,2,3-triol (PubChem CID 170817590) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
PubChem CID170817590
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
SMILESNCc1cccc(C(O)C(O)CO)c1
InChIInChI=1S/C10H15NO3/c11-5-7-2-1-3-8(4-7)10(14)9(13)6-12/h1-4,9-10,12-14H,5-6,11H2
InChIKeyPJBXVOPEXURKOI-UHFFFAOYSA-N
XLogP-0.47
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(sulfanylmethyl)phenyl]propane-1,2,3-triol
CID 170817395
1-[3-(aminomethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171873821
[3-(aminomethyl)phenyl]-propoxymethanol
CID 143382418
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
1-[3-(pentafluoro-λ6-sulfanyl)phenyl]propane-1,2,3-triol
CID 170819101
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
3-amino-1-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diol
CID 170828840
1-[3-(bromomethyl)phenyl]-3-chloropropane-1,2-diol
CID 171863101
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
methyl 3-(1,2,3-trihydroxypropyl)benzoate
CID 170818132
4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898699

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol (CID 170817590) is 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol is NCc1cccc(C(O)C(O)CO)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol?
The InChIKey is PJBXVOPEXURKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c11-5-7-2-1-3-8(4-7)10(14)9(13)6-12/h1-4,9-10,12-14H,5-6,11H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol?
1-[3-(aminomethyl)phenyl]propane-1,2,3-triol has a molecular weight of 197.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]propane-1,2,3-triol is sourced from PubChem (CID 170817590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).