2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine

C16H20BrNO2 — CID 62598270

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO2/c1-12(11-18-9-10-19-2)20-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-8,12,18H,9-11H2,1-2H3
InChIKeyOFMXZXOGGNDXMA-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.61
Rot. Bonds7

About 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine

2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62598270) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID62598270
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO2/c1-12(11-18-9-10-19-2)20-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-8,12,18H,9-11H2,1-2H3
InChIKeyOFMXZXOGGNDXMA-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.61
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

2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307
N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine
CID 63517699
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
CID 62597332
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
N-(2-methoxyethyl)-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 55092907
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
(2S)-1-(1-bromonaphthalen-2-yl)oxy-3-(butylamino)propan-2-ol
CID 27269374
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine (CID 62598270) is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)Oc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is OFMXZXOGGNDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-12(11-18-9-10-19-2)20-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-8,12,18H,9-11H2,1-2H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine?
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62598270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).