N-(2-phenylethyl)naphthalen-1-amine

C18H17N — CID 15775221

IUPACN-(2-phenylethyl)naphthalen-1-amine
SMILESc1ccc(CCNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H17N/c1-2-7-15(8-3-1)13-14-19-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14H2
InChIKeyGXSCPSMITCFJAD-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.49
Rot. Bonds4

About N-(2-phenylethyl)naphthalen-1-amine

N-(2-phenylethyl)naphthalen-1-amine (PubChem CID 15775221) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-phenylethyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)naphthalen-1-amine
PubChem CID15775221
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-(2-phenylethyl)naphthalen-1-amine
SMILESc1ccc(CCNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H17N/c1-2-7-15(8-3-1)13-14-19-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14H2
InChIKeyGXSCPSMITCFJAD-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)naphthalen-1-amine?
The IUPAC name of N-(2-phenylethyl)naphthalen-1-amine (CID 15775221) is N-(2-phenylethyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-phenylethyl)naphthalen-1-amine?
The canonical SMILES for N-(2-phenylethyl)naphthalen-1-amine is c1ccc(CCNc2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-phenylethyl)naphthalen-1-amine?
The InChIKey is GXSCPSMITCFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-2-7-15(8-3-1)13-14-19-18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14H2.
What are the key properties of N-(2-phenylethyl)naphthalen-1-amine?
N-(2-phenylethyl)naphthalen-1-amine has a molecular weight of 247.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)naphthalen-1-amine is sourced from PubChem (CID 15775221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).