(Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine

C20H17N — CID 89190055

IUPAC(Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine
SMILESC=Cc1ccc2ccccc2c1/C=C(\N)c1ccccc1
InChIInChI=1S/C20H17N/c1-2-15-12-13-16-8-6-7-11-18(16)19(15)14-20(21)17-9-4-3-5-10-17/h2-14H,1,21H2/b20-14-
InChIKeyGXBNIKGTOOVTDQ-ZHZULCJRSA-N
MW271.36 g/mol
LogP4.94
Rot. Bonds3

About (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine

(Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine (PubChem CID 89190055) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine
PubChem CID89190055
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name(Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine
SMILESC=Cc1ccc2ccccc2c1/C=C(\N)c1ccccc1
InChIInChI=1S/C20H17N/c1-2-15-12-13-16-8-6-7-11-18(16)19(15)14-20(21)17-9-4-3-5-10-17/h2-14H,1,21H2/b20-14-
InChIKeyGXBNIKGTOOVTDQ-ZHZULCJRSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine?
The IUPAC name of (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine (CID 89190055) is (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine.
What is the SMILES notation for (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine?
The canonical SMILES for (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine is C=Cc1ccc2ccccc2c1/C=C(\N)c1ccccc1.
What is the InChIKey of (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine?
The InChIKey is GXBNIKGTOOVTDQ-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H17N/c1-2-15-12-13-16-8-6-7-11-18(16)19(15)14-20(21)17-9-4-3-5-10-17/h2-14H,1,21H2/b20-14-.
What are the key properties of (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine?
(Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine has a molecular weight of 271.36 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-ethenylnaphthalen-1-yl)-1-phenylethenamine is sourced from PubChem (CID 89190055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).