1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C18H21N3O — CID 75451786

IUPAC1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCOc1ccc2ccccc2c1CN(C)Cc1nccn1C
InChIInChI=1S/C18H21N3O/c1-20(13-18-19-10-11-21(18)2)12-16-15-7-5-4-6-14(15)8-9-17(16)22-3/h4-11H,12-13H2,1-3H3
InChIKeyAPUAHIIENXHFOS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 75451786) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID75451786
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCOc1ccc2ccccc2c1CN(C)Cc1nccn1C
InChIInChI=1S/C18H21N3O/c1-20(13-18-19-10-11-21(18)2)12-16-15-7-5-4-6-14(15)8-9-17(16)22-3/h4-11H,12-13H2,1-3H3
InChIKeyAPUAHIIENXHFOS-UHFFFAOYSA-N
XLogP3.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2-methoxynaphthalen-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 62682753
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 65344219
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 3299087
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196356
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
(S)-(2-methoxynaphthalen-1-yl)-(1-methylimidazol-2-yl)methanol
CID 730697
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 75451786) is 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is COc1ccc2ccccc2c1CN(C)Cc1nccn1C.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is APUAHIIENXHFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(13-18-19-10-11-21(18)2)12-16-15-7-5-4-6-14(15)8-9-17(16)22-3/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 295.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 75451786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).