2-(3-naphthalen-1-yloxypropoxy)ethanamine

C15H19NO2 — CID 82353335

IUPAC2-(3-naphthalen-1-yloxypropoxy)ethanamine
SMILESNCCOCCCOc1cccc2ccccc12
InChIInChI=1S/C15H19NO2/c16-9-12-17-10-4-11-18-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8H,4,9-12,16H2
InChIKeyBTNMJGREWOPKFJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.58
Rot. Bonds7

About 2-(3-naphthalen-1-yloxypropoxy)ethanamine

2-(3-naphthalen-1-yloxypropoxy)ethanamine (PubChem CID 82353335) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yloxypropoxy)ethanamine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yloxypropoxy)ethanamine
PubChem CID82353335
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(3-naphthalen-1-yloxypropoxy)ethanamine
SMILESNCCOCCCOc1cccc2ccccc12
InChIInChI=1S/C15H19NO2/c16-9-12-17-10-4-11-18-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8H,4,9-12,16H2
InChIKeyBTNMJGREWOPKFJ-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.58
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

1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
1-[3-(2,2,2-trifluoroethoxy)propoxy]naphthalene
CID 64764413
1-(3-chloropropoxy)naphthalene
CID 12685615
1-butoxynaphthalene
CID 13262700
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
dichloro(3-naphthalen-1-yloxypropyl)silane
CID 131740391
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
1-(4-methylpentoxy)naphthalene
CID 83168126

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yloxypropoxy)ethanamine?
The IUPAC name of 2-(3-naphthalen-1-yloxypropoxy)ethanamine (CID 82353335) is 2-(3-naphthalen-1-yloxypropoxy)ethanamine.
What is the SMILES notation for 2-(3-naphthalen-1-yloxypropoxy)ethanamine?
The canonical SMILES for 2-(3-naphthalen-1-yloxypropoxy)ethanamine is NCCOCCCOc1cccc2ccccc12.
What is the InChIKey of 2-(3-naphthalen-1-yloxypropoxy)ethanamine?
The InChIKey is BTNMJGREWOPKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-9-12-17-10-4-11-18-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8H,4,9-12,16H2.
What are the key properties of 2-(3-naphthalen-1-yloxypropoxy)ethanamine?
2-(3-naphthalen-1-yloxypropoxy)ethanamine has a molecular weight of 245.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yloxypropoxy)ethanamine is sourced from PubChem (CID 82353335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).