N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C15H23NO — CID 12581164

IUPACN-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C15H23NO/c1-3-4-10-16-13-8-9-14-12(11-13)6-5-7-15(14)17-2/h5-7,13,16H,3-4,8-11H2,1-2H3
InChIKeyXGYRKKQYBLBZCF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds5

About N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12581164) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12581164
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCNC1CCc2c(cccc2OC)C1
InChIInChI=1S/C15H23NO/c1-3-4-10-16-13-8-9-14-12(11-13)6-5-7-15(14)17-2/h5-7,13,16H,3-4,8-11H2,1-2H3
InChIKeyXGYRKKQYBLBZCF-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12581164) is N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCNC1CCc2c(cccc2OC)C1.
What is the InChIKey of N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XGYRKKQYBLBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-10-16-13-8-9-14-12(11-13)6-5-7-15(14)17-2/h5-7,13,16H,3-4,8-11H2,1-2H3.
What are the key properties of N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12581164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).