3-ethoxy-1-naphthalen-2-ylpropan-1-amine

C15H19NO — CID 112688301

IUPAC3-ethoxy-1-naphthalen-2-ylpropan-1-amine
SMILESCCOCCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-2-17-10-9-15(16)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15H,2,9-10,16H2,1H3
InChIKeyIWYDOQPTOSAERV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.27
Rot. Bonds5

About 3-ethoxy-1-naphthalen-2-ylpropan-1-amine

3-ethoxy-1-naphthalen-2-ylpropan-1-amine (PubChem CID 112688301) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-ethoxy-1-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-naphthalen-2-ylpropan-1-amine
PubChem CID112688301
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-ethoxy-1-naphthalen-2-ylpropan-1-amine
SMILESCCOCCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-2-17-10-9-15(16)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15H,2,9-10,16H2,1H3
InChIKeyIWYDOQPTOSAERV-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
CID 81055908
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-naphthalen-2-ylpropan-1-amine?
The IUPAC name of 3-ethoxy-1-naphthalen-2-ylpropan-1-amine (CID 112688301) is 3-ethoxy-1-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-1-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for 3-ethoxy-1-naphthalen-2-ylpropan-1-amine is CCOCCC(N)c1ccc2ccccc2c1.
What is the InChIKey of 3-ethoxy-1-naphthalen-2-ylpropan-1-amine?
The InChIKey is IWYDOQPTOSAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-17-10-9-15(16)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15H,2,9-10,16H2,1H3.
What are the key properties of 3-ethoxy-1-naphthalen-2-ylpropan-1-amine?
3-ethoxy-1-naphthalen-2-ylpropan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 112688301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).