1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine

C21H27NO3 — CID 54847849

IUPAC1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
SMILESc1ccc2c(CNCC3CCCO3)c(OCC3CCCO3)ccc2c1
InChIInChI=1S/C21H27NO3/c1-2-8-19-16(5-1)9-10-21(25-15-18-7-4-12-24-18)20(19)14-22-13-17-6-3-11-23-17/h1-2,5,8-10,17-18,22H,3-4,6-7,11-15H2
InChIKeyPAYGNIVPBAZOME-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.67
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine

1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine (PubChem CID 54847849) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
PubChem CID54847849
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
SMILESc1ccc2c(CNCC3CCCO3)c(OCC3CCCO3)ccc2c1
InChIInChI=1S/C21H27NO3/c1-2-8-19-16(5-1)9-10-21(25-15-18-7-4-12-24-18)20(19)14-22-13-17-6-3-11-23-17/h1-2,5,8-10,17-18,22H,3-4,6-7,11-15H2
InChIKeyPAYGNIVPBAZOME-UHFFFAOYSA-N
XLogP3.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992125
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]propanoic acid
CID 54848186
2-[4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]phenyl]ethanamine;hydrochloride
CID 172910530

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine (CID 54847849) is 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine is c1ccc2c(CNCC3CCCO3)c(OCC3CCCO3)ccc2c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine?
The InChIKey is PAYGNIVPBAZOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-2-8-19-16(5-1)9-10-21(25-15-18-7-4-12-24-18)20(19)14-22-13-17-6-3-11-23-17/h1-2,5,8-10,17-18,22H,3-4,6-7,11-15H2.
What are the key properties of 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine?
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine has a molecular weight of 341.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine is sourced from PubChem (CID 54847849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).