1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol

C15H19NO3 — CID 171858748

IUPAC1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H19NO3/c1-16-9-14(17)15(18)12-4-3-11-8-13(19-2)6-5-10(11)7-12/h3-8,14-18H,9H2,1-2H3
InChIKeyHEQMNGGGXDMDBG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.46
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol

1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol (PubChem CID 171858748) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
PubChem CID171858748
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H19NO3/c1-16-9-14(17)15(18)12-4-3-11-8-13(19-2)6-5-10(11)7-12/h3-8,14-18H,9H2,1-2H3
InChIKeyHEQMNGGGXDMDBG-UHFFFAOYSA-N
XLogP1.46
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
4-chloro-1-(6-methoxynaphthalen-2-yl)butane-1,2-diol
CID 171894610
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859158
1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859184
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol (CID 171858748) is 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol?
The InChIKey is HEQMNGGGXDMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-9-14(17)15(18)12-4-3-11-8-13(19-2)6-5-10(11)7-12/h3-8,14-18H,9H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol?
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol has a molecular weight of 261.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171858748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).