3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol

C13H15NO3 — CID 168593345

IUPAC3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1cccc2cc(O)ccc12
InChIInChI=1S/C13H15NO3/c15-8-11(17)7-14-13-3-1-2-9-6-10(16)4-5-12(9)13/h1-6,11,14-17H,7-8H2
InChIKeyVVHBYIUAJNPVTM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds4

About 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol

3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol (PubChem CID 168593345) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol
PubChem CID168593345
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1cccc2cc(O)ccc12
InChIInChI=1S/C13H15NO3/c15-8-11(17)7-14-13-3-1-2-9-6-10(16)4-5-12(9)13/h1-6,11,14-17H,7-8H2
InChIKeyVVHBYIUAJNPVTM-UHFFFAOYSA-N
XLogP1.31
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
5-(methylamino)naphthalen-2-ol
CID 74890550
3-(2,1-benzothiazol-4-ylamino)propane-1,2-diol
CID 168595032
3-[(6-hydroxynaphthalen-1-yl)amino]propane-1-sulfonic acid
CID 102034605
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
3-[(2-chloroquinolin-8-yl)amino]propane-1,2-diol
CID 168596797
(6-hydroxynaphthalen-1-yl)thiourea
CID 28689410
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
methyl 6-(2,3-dihydroxypropylamino)naphthalene-1-carboxylate
CID 168594347
2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide
CID 168595239

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol (CID 168593345) is 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol is OCC(O)CNc1cccc2cc(O)ccc12.
What is the InChIKey of 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol?
The InChIKey is VVHBYIUAJNPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-8-11(17)7-14-13-3-1-2-9-6-10(16)4-5-12(9)13/h1-6,11,14-17H,7-8H2.
What are the key properties of 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol?
3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol has a molecular weight of 233.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol is sourced from PubChem (CID 168593345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).