[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine

C16H18BrNO2 — CID 62486311

IUPAC[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COc2ccc3ccccc3c2Br)O1
InChIInChI=1S/C16H18BrNO2/c17-16-14-4-2-1-3-11(14)5-8-15(16)19-10-13-7-6-12(9-18)20-13/h1-5,8,12-13H,6-7,9-10,18H2
InChIKeyNIIYRMROUDGEHY-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.49
Rot. Bonds4

About [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine

[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine (PubChem CID 62486311) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine
PubChem CID62486311
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COc2ccc3ccccc3c2Br)O1
InChIInChI=1S/C16H18BrNO2/c17-16-14-4-2-1-3-11(14)5-8-15(16)19-10-13-7-6-12(9-18)20-13/h1-5,8,12-13H,6-7,9-10,18H2
InChIKeyNIIYRMROUDGEHY-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404
[5-(quinolin-5-yloxymethyl)oxolan-2-yl]methanamine
CID 103045798
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
CID 114676919
(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
CID 26190840
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
CID 2949268
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
2-[5-[2-(2-methoxynaphthalen-1-yl)ethyl]oxolan-2-yl]ethanamine
CID 44590820
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750

Frequently Asked Questions

What is the IUPAC name of [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine (CID 62486311) is [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine is NCC1CCC(COc2ccc3ccccc3c2Br)O1.
What is the InChIKey of [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine?
The InChIKey is NIIYRMROUDGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-16-14-4-2-1-3-11(14)5-8-15(16)19-10-13-7-6-12(9-18)20-13/h1-5,8,12-13H,6-7,9-10,18H2.
What are the key properties of [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine?
[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62486311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).