2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-

C15H19NO2 — CID 200475

IUPAC1-(dimethylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCN(C)CC(COC1=CC=CC2=CC=CC=C21)O
InChIInChI=1S/C15H19NO2/c1-16(2)10-13(17)11-18-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,10-11H2,1-2H3
InChIKeyNRIDRINPRIUAKP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.60
Rot. Bonds5

About 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-

2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)- (PubChem CID 200475) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-
PubChem CID200475
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(dimethylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCN(C)CC(COC1=CC=CC2=CC=CC=C21)O
InChIInChI=1S/C15H19NO2/c1-16(2)10-13(17)11-18-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,10-11H2,1-2H3
InChIKeyNRIDRINPRIUAKP-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-?
The IUPAC name of 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)- (CID 200475) is 1-(dimethylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-?
The canonical SMILES for 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)- is CN(C)CC(COC1=CC=CC2=CC=CC=C21)O.
What is the InChIKey of 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-?
The InChIKey is NRIDRINPRIUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(2)10-13(17)11-18-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,10-11H2,1-2H3.
What are the key properties of 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-?
2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)- has a molecular weight of 245.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)- is sourced from PubChem (CID 200475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).