1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine

C19H23NO2 — CID 2969882

IUPAC1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
SMILESC=CCOc1ccc2ccccc2c1CNCC1CCCO1
InChIInChI=1S/C19H23NO2/c1-2-11-22-19-10-9-15-6-3-4-8-17(15)18(19)14-20-13-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2
InChIKeySSWUYUKGOWYGSK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.67
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine

1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine (PubChem CID 2969882) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
PubChem CID2969882
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
SMILESC=CCOc1ccc2ccccc2c1CNCC1CCCO1
InChIInChI=1S/C19H23NO2/c1-2-11-22-19-10-9-15-6-3-4-8-17(15)18(19)14-20-13-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2
InChIKeySSWUYUKGOWYGSK-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
CID 2111518
N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992125
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4716124

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine (CID 2969882) is 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine is C=CCOc1ccc2ccccc2c1CNCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine?
The InChIKey is SSWUYUKGOWYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-11-22-19-10-9-15-6-3-4-8-17(15)18(19)14-20-13-16-7-5-12-21-16/h2-4,6,8-10,16,20H,1,5,7,11-14H2.
What are the key properties of 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine?
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine is sourced from PubChem (CID 2969882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).