(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine

C16H19NO2 — CID 43150779

IUPAC(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CCCO2)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-18-14-9-8-13(11-5-2-3-6-12(11)14)16(17)15-7-4-10-19-15/h2-3,5-6,8-9,15-16H,4,7,10,17H2,1H3
InChIKeyKWKKNPSTIXLFBV-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.03
Rot. Bonds3

About (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine

(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine (PubChem CID 43150779) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
PubChem CID43150779
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CCCO2)c2ccccc12
InChIInChI=1S/C16H19NO2/c1-18-14-9-8-13(11-5-2-3-6-12(11)14)16(17)15-7-4-10-19-15/h2-3,5-6,8-9,15-16H,4,7,10,17H2,1H3
InChIKeyKWKKNPSTIXLFBV-UHFFFAOYSA-N
XLogP3.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxan-2-yl-(4-methoxynaphthalen-1-yl)methanamine
CID 62798863
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
2-[3-bromo-3-(4-methoxynaphthalen-1-yl)propyl]oxolane
CID 65157917
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
CID 103524623
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
CID 114603352
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 62215307
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine (CID 43150779) is (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine is COc1ccc(C(N)C2CCCO2)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine?
The InChIKey is KWKKNPSTIXLFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-14-9-8-13(11-5-2-3-6-12(11)14)16(17)15-7-4-10-19-15/h2-3,5-6,8-9,15-16H,4,7,10,17H2,1H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine?
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43150779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).