2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde

C13H13NO2 — CID 87349314

IUPAC2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2cc(CC=O)cc(N)c2c1
InChIInChI=1S/C13H13NO2/c1-16-11-3-2-10-6-9(4-5-15)7-13(14)12(10)8-11/h2-3,5-8H,4,14H2,1H3
InChIKeyCPMNSSJGZTVEJM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.17
Rot. Bonds3

About 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde

2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde (PubChem CID 87349314) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde
PubChem CID87349314
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2cc(CC=O)cc(N)c2c1
InChIInChI=1S/C13H13NO2/c1-16-11-3-2-10-6-9(4-5-15)7-13(14)12(10)8-11/h2-3,5-8H,4,14H2,1H3
InChIKeyCPMNSSJGZTVEJM-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
CID 87349603
6-methoxyanthracen-1-amine
CID 23131346
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
CID 117195628
2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
CID 89258147
2-(1-benzoyl-6-methoxynaphthalen-2-yl)acetaldehyde
CID 89131799
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2-[3-(fluoromethyl)-7-methoxynaphthalen-1-yl]ethanamine
CID 83854139

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde (CID 87349314) is 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde is COc1ccc2cc(CC=O)cc(N)c2c1.
What is the InChIKey of 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde?
The InChIKey is CPMNSSJGZTVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-11-3-2-10-6-9(4-5-15)7-13(14)12(10)8-11/h2-3,5-8H,4,14H2,1H3.
What are the key properties of 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde?
2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 87349314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).