5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO — CID 65455547

IUPAC5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCOc1cccc2c1CCCC2NC
InChIInChI=1S/C15H23NO/c1-3-4-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16-2/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3
InChIKeyXLMCFIPRURWLAK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.46
Rot. Bonds5

About 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65455547) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65455547
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCOc1cccc2c1CCCC2NC
InChIInChI=1S/C15H23NO/c1-3-4-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16-2/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3
InChIKeyXLMCFIPRURWLAK-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.46
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

4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
2-methyl-1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-2-ol
CID 114492127
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 65455364
N-methyl-5-(oxolan-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455735
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456675

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65455547) is 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCOc1cccc2c1CCCC2NC.
What is the InChIKey of 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XLMCFIPRURWLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-11-17-15-10-6-7-12-13(15)8-5-9-14(12)16-2/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65455547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).