2-(3-phenylnaphthalen-1-yl)ethanamine

C18H17N — CID 22133309

IUPAC2-(3-phenylnaphthalen-1-yl)ethanamine
SMILESNCCc1cc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C18H17N/c19-11-10-16-13-17(14-6-2-1-3-7-14)12-15-8-4-5-9-18(15)16/h1-9,12-13H,10-11,19H2
InChIKeyYVLXFGWRCVWWNI-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.01
Rot. Bonds3

About 2-(3-phenylnaphthalen-1-yl)ethanamine

2-(3-phenylnaphthalen-1-yl)ethanamine (PubChem CID 22133309) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-phenylnaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-phenylnaphthalen-1-yl)ethanamine
PubChem CID22133309
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-(3-phenylnaphthalen-1-yl)ethanamine
SMILESNCCc1cc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C18H17N/c19-11-10-16-13-17(14-6-2-1-3-7-14)12-15-8-4-5-9-18(15)16/h1-9,12-13H,10-11,19H2
InChIKeyYVLXFGWRCVWWNI-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylnaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(3-phenylnaphthalen-1-yl)ethanamine (CID 22133309) is 2-(3-phenylnaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(3-phenylnaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(3-phenylnaphthalen-1-yl)ethanamine is NCCc1cc(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 2-(3-phenylnaphthalen-1-yl)ethanamine?
The InChIKey is YVLXFGWRCVWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c19-11-10-16-13-17(14-6-2-1-3-7-14)12-15-8-4-5-9-18(15)16/h1-9,12-13H,10-11,19H2.
What are the key properties of 2-(3-phenylnaphthalen-1-yl)ethanamine?
2-(3-phenylnaphthalen-1-yl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylnaphthalen-1-yl)ethanamine is sourced from PubChem (CID 22133309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).