ethanamine;naphthalene-2-carbaldehyde

C13H15NO — CID 143882987

IUPACethanamine;naphthalene-2-carbaldehyde
SMILESCCN.O=Cc1ccc2ccccc2c1
InChIInChI=1S/C11H8O.C2H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-3/h1-8H;2-3H2,1H3
InChIKeyYLLWSWRDDDALOL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.62
Rot. Bonds1

About ethanamine;naphthalene-2-carbaldehyde

ethanamine;naphthalene-2-carbaldehyde (PubChem CID 143882987) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is ethanamine;naphthalene-2-carbaldehyde.

Molecular Properties

Compound Nameethanamine;naphthalene-2-carbaldehyde
PubChem CID143882987
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Nameethanamine;naphthalene-2-carbaldehyde
SMILESCCN.O=Cc1ccc2ccccc2c1
InChIInChI=1S/C11H8O.C2H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-3/h1-8H;2-3H2,1H3
InChIKeyYLLWSWRDDDALOL-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
naphthalene-2,6-dicarbaldehyde
CID 159038637
4-methylbenzoic acid;naphthalene-2-carbaldehyde
CID 88811859
6-methylnaphthalene-2-carbaldehyde
CID 6452268
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
6-[naphthalen-1-yl(naphthalen-2-yl)amino]naphthalene-2-carbaldehyde
CID 88907178
aniline;bicyclo[2.2.1]hept-2-ene;naphthalene-2-carbaldehyde
CID 158502151
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
6-methylanthracene-2-carbaldehyde
CID 156805593
8-aminoanthracene-2-carbaldehyde
CID 23131370
2,3-dihydro-1,4-benzodioxine;naphthalene-2,6-dicarbaldehyde
CID 87827068

Frequently Asked Questions

What is the IUPAC name of ethanamine;naphthalene-2-carbaldehyde?
The IUPAC name of ethanamine;naphthalene-2-carbaldehyde (CID 143882987) is ethanamine;naphthalene-2-carbaldehyde.
What is the SMILES notation for ethanamine;naphthalene-2-carbaldehyde?
The canonical SMILES for ethanamine;naphthalene-2-carbaldehyde is CCN.O=Cc1ccc2ccccc2c1.
What is the InChIKey of ethanamine;naphthalene-2-carbaldehyde?
The InChIKey is YLLWSWRDDDALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O.C2H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;1-2-3/h1-8H;2-3H2,1H3.
What are the key properties of ethanamine;naphthalene-2-carbaldehyde?
ethanamine;naphthalene-2-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;naphthalene-2-carbaldehyde is sourced from PubChem (CID 143882987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).