3-(naphthalen-1-ylamino)propane-1,2-diol

C13H15NO2 — CID 3017963

IUPAC3-(naphthalen-1-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1cccc2ccccc12
InChIInChI=1S/C13H15NO2/c15-9-11(16)8-14-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-16H,8-9H2
InChIKeyFFDICKQFLGMKFP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds4

About 3-(naphthalen-1-ylamino)propane-1,2-diol

3-(naphthalen-1-ylamino)propane-1,2-diol (PubChem CID 3017963) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(naphthalen-1-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(naphthalen-1-ylamino)propane-1,2-diol
PubChem CID3017963
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(naphthalen-1-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1cccc2ccccc12
InChIInChI=1S/C13H15NO2/c15-9-11(16)8-14-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-16H,8-9H2
InChIKeyFFDICKQFLGMKFP-UHFFFAOYSA-N
XLogP1.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol
CID 168593345
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
1-(4-fluorophenyl)-2-(naphthalen-1-ylamino)ethanol
CID 60720496
3-[(2-chloroquinolin-8-yl)amino]propane-1,2-diol
CID 168596797
3-(2,1-benzothiazol-4-ylamino)propane-1,2-diol
CID 168595032
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
CID 21235133
[3-(2,3-dihydroxypropylamino)-2-methylphenyl]boronic acid
CID 168597479

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylamino)propane-1,2-diol?
The IUPAC name of 3-(naphthalen-1-ylamino)propane-1,2-diol (CID 3017963) is 3-(naphthalen-1-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(naphthalen-1-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(naphthalen-1-ylamino)propane-1,2-diol is OCC(O)CNc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylamino)propane-1,2-diol?
The InChIKey is FFDICKQFLGMKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-9-11(16)8-14-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-16H,8-9H2.
What are the key properties of 3-(naphthalen-1-ylamino)propane-1,2-diol?
3-(naphthalen-1-ylamino)propane-1,2-diol has a molecular weight of 217.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylamino)propane-1,2-diol is sourced from PubChem (CID 3017963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).