3-anthracen-9-ylprop-2-en-1-amine

C17H15N — CID 169464466

IUPAC3-anthracen-9-ylprop-2-en-1-amine
SMILESNCC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11,18H2
InChIKeyRTZLMXNGCJPJML-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.96
Rot. Bonds2

About 3-anthracen-9-ylprop-2-en-1-amine

3-anthracen-9-ylprop-2-en-1-amine (PubChem CID 169464466) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-anthracen-9-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-anthracen-9-ylprop-2-en-1-amine
PubChem CID169464466
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name3-anthracen-9-ylprop-2-en-1-amine
SMILESNCC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11,18H2
InChIKeyRTZLMXNGCJPJML-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(3-bromoprop-1-enyl)anthracene
CID 169476418
9-pent-1-enylanthracene
CID 173045692
4-anthracen-9-ylbut-3-enamide
CID 170798903
9-(4-bromobut-1-enyl)anthracene
CID 170498426
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
S-(3-anthracen-9-ylprop-2-enyl) ethanethioate
CID 169458206
9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
CID 101210227
[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
CID 102288508
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
CID 102214824

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-ylprop-2-en-1-amine?
The IUPAC name of 3-anthracen-9-ylprop-2-en-1-amine (CID 169464466) is 3-anthracen-9-ylprop-2-en-1-amine.
What is the SMILES notation for 3-anthracen-9-ylprop-2-en-1-amine?
The canonical SMILES for 3-anthracen-9-ylprop-2-en-1-amine is NCC=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 3-anthracen-9-ylprop-2-en-1-amine?
The InChIKey is RTZLMXNGCJPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11,18H2.
What are the key properties of 3-anthracen-9-ylprop-2-en-1-amine?
3-anthracen-9-ylprop-2-en-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-ylprop-2-en-1-amine is sourced from PubChem (CID 169464466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).