3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol

C14H17NO2 — CID 171858135

IUPAC3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
SMILESCNCC(O)C(O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO2/c1-15-9-13(16)14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-17H,9H2,1H3
InChIKeyZSNIAMFRKTUZAQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds4

About 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol

3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol (PubChem CID 171858135) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
PubChem CID171858135
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
SMILESCNCC(O)C(O)c1cccc2ccccc12
InChIInChI=1S/C14H17NO2/c1-15-9-13(16)14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-17H,9H2,1H3
InChIKeyZSNIAMFRKTUZAQ-UHFFFAOYSA-N
XLogP1.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-3-(methylamino)propane-1,2-diol
CID 171858165
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
5-[1,2-dihydroxy-3-(methylamino)propyl]naphthalene-1-carboxylic acid
CID 171858908
1-anthracen-9-yl-3-(methylamino)propane-1,2-diol
CID 171858963
4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
CID 68740901
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-1-ylpentan-3-ol
CID 68739670
4-chloro-1-naphthalen-1-ylbutane-1,2-diol
CID 171893987
1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171857750
1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859236
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol (CID 171858135) is 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol is CNCC(O)C(O)c1cccc2ccccc12.
What is the InChIKey of 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol?
The InChIKey is ZSNIAMFRKTUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15-9-13(16)14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-17H,9H2,1H3.
What are the key properties of 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol?
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol has a molecular weight of 231.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol is sourced from PubChem (CID 171858135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).