2-[naphthalen-2-ylmethyl(propyl)amino]ethanol

C16H21NO — CID 783474

IUPAC2-[naphthalen-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-2-9-17(10-11-18)13-14-7-8-15-5-3-4-6-16(15)12-14/h3-8,12,18H,2,9-11,13H2,1H3
InChIKeyYLBNBRGTFDKXTP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.04
Rot. Bonds6

About 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol

2-[naphthalen-2-ylmethyl(propyl)amino]ethanol (PubChem CID 783474) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[naphthalen-2-ylmethyl(propyl)amino]ethanol
PubChem CID783474
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[naphthalen-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-2-9-17(10-11-18)13-14-7-8-15-5-3-4-6-16(15)12-14/h3-8,12,18H,2,9-11,13H2,1H3
InChIKeyYLBNBRGTFDKXTP-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol?
The IUPAC name of 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol (CID 783474) is 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol is CCCN(CCO)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol?
The InChIKey is YLBNBRGTFDKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-9-17(10-11-18)13-14-7-8-15-5-3-4-6-16(15)12-14/h3-8,12,18H,2,9-11,13H2,1H3.
What are the key properties of 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol?
2-[naphthalen-2-ylmethyl(propyl)amino]ethanol has a molecular weight of 243.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-ylmethyl(propyl)amino]ethanol is sourced from PubChem (CID 783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).