5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine

C16H25NO — CID 112754245

IUPAC5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
SMILESCOCCCCC(N)C1CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-18-12-5-4-11-16(17)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15-16H,4-6,8,10-12,17H2,1H3
InChIKeyHSNWDXXTDISZFZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.25
Rot. Bonds6

About 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine

5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine (PubChem CID 112754245) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
PubChem CID112754245
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
SMILESCOCCCCC(N)C1CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-18-12-5-4-11-16(17)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15-16H,4-6,8,10-12,17H2,1H3
InChIKeyHSNWDXXTDISZFZ-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.25
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

1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104648344
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
2-(3-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63247283
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
CID 65091802
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine?
The IUPAC name of 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine (CID 112754245) is 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine?
The canonical SMILES for 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine is COCCCCC(N)C1CCCc2ccccc21.
What is the InChIKey of 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine?
The InChIKey is HSNWDXXTDISZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-18-12-5-4-11-16(17)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15-16H,4-6,8,10-12,17H2,1H3.
What are the key properties of 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine?
5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine is sourced from PubChem (CID 112754245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).