2-(2-prop-2-enylphenyl)naphthalen-1-amine

C19H17N — CID 70019224

IUPAC2-(2-prop-2-enylphenyl)naphthalen-1-amine
SMILESC=CCc1ccccc1-c1ccc2ccccc2c1N
InChIInChI=1S/C19H17N/c1-2-7-14-8-3-5-10-16(14)18-13-12-15-9-4-6-11-17(15)19(18)20/h2-6,8-13H,1,7,20H2
InChIKeyJKAHJVBDFYLSIZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.82
Rot. Bonds3

About 2-(2-prop-2-enylphenyl)naphthalen-1-amine

2-(2-prop-2-enylphenyl)naphthalen-1-amine (PubChem CID 70019224) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(2-prop-2-enylphenyl)naphthalen-1-amine
PubChem CID70019224
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name2-(2-prop-2-enylphenyl)naphthalen-1-amine
SMILESC=CCc1ccccc1-c1ccc2ccccc2c1N
InChIInChI=1S/C19H17N/c1-2-7-14-8-3-5-10-16(14)18-13-12-15-9-4-6-11-17(15)19(18)20/h2-6,8-13H,1,7,20H2
InChIKeyJKAHJVBDFYLSIZ-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenyl)naphthalen-1-amine?
The IUPAC name of 2-(2-prop-2-enylphenyl)naphthalen-1-amine (CID 70019224) is 2-(2-prop-2-enylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2-(2-prop-2-enylphenyl)naphthalen-1-amine?
The canonical SMILES for 2-(2-prop-2-enylphenyl)naphthalen-1-amine is C=CCc1ccccc1-c1ccc2ccccc2c1N.
What is the InChIKey of 2-(2-prop-2-enylphenyl)naphthalen-1-amine?
The InChIKey is JKAHJVBDFYLSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-2-7-14-8-3-5-10-16(14)18-13-12-15-9-4-6-11-17(15)19(18)20/h2-6,8-13H,1,7,20H2.
What are the key properties of 2-(2-prop-2-enylphenyl)naphthalen-1-amine?
2-(2-prop-2-enylphenyl)naphthalen-1-amine has a molecular weight of 259.35 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenyl)naphthalen-1-amine is sourced from PubChem (CID 70019224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).