N-methyl-4-naphthalen-2-yloxybutan-1-amine

C15H19NO — CID 2948902

IUPACN-methyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCNCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3
InChIKeyBGNPKSJMUHXEOF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-4-naphthalen-2-yloxybutan-1-amine

N-methyl-4-naphthalen-2-yloxybutan-1-amine (PubChem CID 2948902) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-methyl-4-naphthalen-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-naphthalen-2-yloxybutan-1-amine
PubChem CID2948902
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-methyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCNCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3
InChIKeyBGNPKSJMUHXEOF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.22
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-methyl-4-naphthalen-2-yloxybutan-1-amine?
The IUPAC name of N-methyl-4-naphthalen-2-yloxybutan-1-amine (CID 2948902) is N-methyl-4-naphthalen-2-yloxybutan-1-amine.
What is the SMILES notation for N-methyl-4-naphthalen-2-yloxybutan-1-amine?
The canonical SMILES for N-methyl-4-naphthalen-2-yloxybutan-1-amine is CNCCCCOc1ccc2ccccc2c1.
What is the InChIKey of N-methyl-4-naphthalen-2-yloxybutan-1-amine?
The InChIKey is BGNPKSJMUHXEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12,16H,4-5,10-11H2,1H3.
What are the key properties of N-methyl-4-naphthalen-2-yloxybutan-1-amine?
N-methyl-4-naphthalen-2-yloxybutan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-naphthalen-2-yloxybutan-1-amine is sourced from PubChem (CID 2948902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).