N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine

C18H23NO2 — CID 97160391

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine
SMILESCOc1ccc2ccccc2c1CN(C)C[C@@H]1CCOC1
InChIInChI=1S/C18H23NO2/c1-19(11-14-9-10-21-13-14)12-17-16-6-4-3-5-15(16)7-8-18(17)20-2/h3-8,14H,9-13H2,1-2H3/t14-/m0/s1
InChIKeyPNCQROWNBXUMSY-AWEZNQCLSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine

N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine (PubChem CID 97160391) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine
PubChem CID97160391
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine
SMILESCOc1ccc2ccccc2c1CN(C)C[C@@H]1CCOC1
InChIInChI=1S/C18H23NO2/c1-19(11-14-9-10-21-13-14)12-17-16-6-4-3-5-15(16)7-8-18(17)20-2/h3-8,14H,9-13H2,1-2H3/t14-/m0/s1
InChIKeyPNCQROWNBXUMSY-AWEZNQCLSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 82964387
N'-[(2-methoxynaphthalen-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 62682753
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 3299087
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 75451786
(3R)-3-(2-methoxynaphthalen-1-yl)morpholine;hydrochloride
CID 171192849
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine (CID 97160391) is N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine is COc1ccc2ccccc2c1CN(C)C[C@@H]1CCOC1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine?
The InChIKey is PNCQROWNBXUMSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(11-14-9-10-21-13-14)12-17-16-6-4-3-5-15(16)7-8-18(17)20-2/h3-8,14H,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine?
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine is sourced from PubChem (CID 97160391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).