(2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol

C11H18N2O2 — CID 166808571

IUPAC(2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol
SMILESCNC(O)[C@H](Cc1ccccc1)NCO
InChIInChI=1S/C11H18N2O2/c1-12-11(15)10(13-8-14)7-9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11?/m0/s1
InChIKeyMYGZPBOAWBWFDT-VUWPPUDQSA-N
MW210.28 g/mol
LogP-0.33
Rot. Bonds6

About (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol

(2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol (PubChem CID 166808571) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol
PubChem CID166808571
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol
SMILESCNC(O)[C@H](Cc1ccccc1)NCO
InChIInChI=1S/C11H18N2O2/c1-12-11(15)10(13-8-14)7-9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11?/m0/s1
InChIKeyMYGZPBOAWBWFDT-VUWPPUDQSA-N
XLogP-0.33
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-benzyl-3-hydroxy-3-(methylamino)propanamide
CID 174250147
methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
3-fluoro-4-phenylbutan-2-ol
CID 105433789
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
N-methyl-1-phenylpropan-2-amine
CID 118309477
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
4-(benzylamino)-3-hydroxy-5-phenylpentan-2-one
CID 18716186
(1R)-1-fluoro-2-phenylethanol
CID 163366132
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938
1-methoxy-1-(methylamino)-3-phenylpropan-2-ol
CID 155698723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol (CID 166808571) is (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol is CNC(O)[C@H](Cc1ccccc1)NCO.
What is the InChIKey of (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol?
The InChIKey is MYGZPBOAWBWFDT-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-11(15)10(13-8-14)7-9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11?/m0/s1.
What are the key properties of (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol?
(2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol has a molecular weight of 210.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethylamino)-1-(methylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 166808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).