N-methyl-3-naphthalen-1-yloxypropan-1-amine

C14H17NO — CID 2199935

IUPACN-methyl-3-naphthalen-1-yloxypropan-1-amine
SMILESCNCCCOc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3
InChIKeyZLTWNSXILLAQPT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-3-naphthalen-1-yloxypropan-1-amine

N-methyl-3-naphthalen-1-yloxypropan-1-amine (PubChem CID 2199935) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-yloxypropan-1-amine
PubChem CID2199935
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-methyl-3-naphthalen-1-yloxypropan-1-amine
SMILESCNCCCOc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3
InChIKeyZLTWNSXILLAQPT-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.83
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-3-naphthalen-1-yloxypropan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-1-yloxypropan-1-amine (CID 2199935) is N-methyl-3-naphthalen-1-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-1-yloxypropan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-1-yloxypropan-1-amine is CNCCCOc1cccc2ccccc12.
What is the InChIKey of N-methyl-3-naphthalen-1-yloxypropan-1-amine?
The InChIKey is ZLTWNSXILLAQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3.
What are the key properties of N-methyl-3-naphthalen-1-yloxypropan-1-amine?
N-methyl-3-naphthalen-1-yloxypropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-yloxypropan-1-amine is sourced from PubChem (CID 2199935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).