6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NO2 — CID 104647002

IUPAC6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2cc(OCCCCOC)ccc21
InChIInChI=1S/C18H29NO2/c1-3-11-19-18-8-6-7-15-14-16(9-10-17(15)18)21-13-5-4-12-20-2/h9-10,14,18-19H,3-8,11-13H2,1-2H3
InChIKeyUWGNTRNGRMMXGB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.87
Rot. Bonds9

About 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 104647002) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID104647002
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2cc(OCCCCOC)ccc21
InChIInChI=1S/C18H29NO2/c1-3-11-19-18-8-6-7-15-14-16(9-10-17(15)18)21-13-5-4-12-20-2/h9-10,14,18-19H,3-8,11-13H2,1-2H3
InChIKeyUWGNTRNGRMMXGB-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
6-cyclohex-2-en-1-yloxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114619764
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpropanamide
CID 62324931
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
N-(2-methoxyethyl)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115708011

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 104647002) is 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2cc(OCCCCOC)ccc21.
What is the InChIKey of 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UWGNTRNGRMMXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-11-19-18-8-6-7-15-14-16(9-10-17(15)18)21-13-5-4-12-20-2/h9-10,14,18-19H,3-8,11-13H2,1-2H3.
What are the key properties of 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 104647002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).