2-(1-aminonaphthalen-2-yl)propanal

C13H13NO — CID 174544032

IUPAC2-(1-aminonaphthalen-2-yl)propanal
SMILESCC(C=O)c1ccc2ccccc2c1N
InChIInChI=1S/C13H13NO/c1-9(8-15)11-7-6-10-4-2-3-5-12(10)13(11)14/h2-9H,14H2,1H3
InChIKeyBJQTZWAZJKKGJU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.72
Rot. Bonds2

About 2-(1-aminonaphthalen-2-yl)propanal

2-(1-aminonaphthalen-2-yl)propanal (PubChem CID 174544032) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-aminonaphthalen-2-yl)propanal.

Molecular Properties

Compound Name2-(1-aminonaphthalen-2-yl)propanal
PubChem CID174544032
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(1-aminonaphthalen-2-yl)propanal
SMILESCC(C=O)c1ccc2ccccc2c1N
InChIInChI=1S/C13H13NO/c1-9(8-15)11-7-6-10-4-2-3-5-12(10)13(11)14/h2-9H,14H2,1H3
InChIKeyBJQTZWAZJKKGJU-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-anthracen-1-ylpropanal
CID 123532907
2-hexan-3-ylnaphthalen-1-amine
CID 22706829
(1-aminonaphthalen-2-yl) 2-bromopropanoate
CID 162508853
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
2-(2-amino-4-methoxy-3-methylphenyl)propanal
CID 174840927
2-(1-chloronaphthalen-2-yl)butanal
CID 54391003
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
CID 70563290
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
2-bromonaphthalen-1-amine
CID 10889478
acetic acid;chrysene
CID 175201446

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminonaphthalen-2-yl)propanal?
The IUPAC name of 2-(1-aminonaphthalen-2-yl)propanal (CID 174544032) is 2-(1-aminonaphthalen-2-yl)propanal.
What is the SMILES notation for 2-(1-aminonaphthalen-2-yl)propanal?
The canonical SMILES for 2-(1-aminonaphthalen-2-yl)propanal is CC(C=O)c1ccc2ccccc2c1N.
What is the InChIKey of 2-(1-aminonaphthalen-2-yl)propanal?
The InChIKey is BJQTZWAZJKKGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9(8-15)11-7-6-10-4-2-3-5-12(10)13(11)14/h2-9H,14H2,1H3.
What are the key properties of 2-(1-aminonaphthalen-2-yl)propanal?
2-(1-aminonaphthalen-2-yl)propanal has a molecular weight of 199.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminonaphthalen-2-yl)propanal is sourced from PubChem (CID 174544032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).