3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol

C10H15NO2 — CID 90041405

IUPAC3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
SMILESNCC(CO)c1cccc(CO)c1
InChIInChI=1S/C10H15NO2/c11-5-10(7-13)9-3-1-2-8(4-9)6-12/h1-4,10,12-13H,5-7,11H2
InChIKeyPTASESVSMBZTGO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds4

About 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol

3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 90041405) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID90041405
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
SMILESNCC(CO)c1cccc(CO)c1
InChIInChI=1S/C10H15NO2/c11-5-10(7-13)9-3-1-2-8(4-9)6-12/h1-4,10,12-13H,5-7,11H2
InChIKeyPTASESVSMBZTGO-UHFFFAOYSA-N
XLogP0.21
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1R)-1,2-diaminoethyl]phenyl]methanol
CID 66516208
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
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3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
2-(3-ethylphenyl)-4-methylpentan-1-amine
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2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 20546137
[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
CID 55297629
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
CID 170817590
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
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4-amino-2-(3-methylphenyl)butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol (CID 90041405) is 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol is NCC(CO)c1cccc(CO)c1.
What is the InChIKey of 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is PTASESVSMBZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-5-10(7-13)9-3-1-2-8(4-9)6-12/h1-4,10,12-13H,5-7,11H2.
What are the key properties of 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol?
3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 90041405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).