[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine

C16H17N3O — CID 66140699

IUPAC[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
SMILESCn1cncc1COc1ccc2ccccc2c1CN
InChIInChI=1S/C16H17N3O/c1-19-11-18-9-13(19)10-20-16-7-6-12-4-2-3-5-14(12)15(16)8-17/h2-7,9,11H,8,10,17H2,1H3
InChIKeyLNZKCVUMMXYHGT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.61
Rot. Bonds4

About [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine

[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine (PubChem CID 66140699) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
PubChem CID66140699
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
SMILESCn1cncc1COc1ccc2ccccc2c1CN
InChIInChI=1S/C16H17N3O/c1-19-11-18-9-13(19)10-20-16-7-6-12-4-2-3-5-14(12)15(16)8-17/h2-7,9,11H,8,10,17H2,1H3
InChIKeyLNZKCVUMMXYHGT-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79156485
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methanamine
CID 43505452
[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 60887305

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
The IUPAC name of [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine (CID 66140699) is [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine.
What is the SMILES notation for [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
The canonical SMILES for [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine is Cn1cncc1COc1ccc2ccccc2c1CN.
What is the InChIKey of [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
The InChIKey is LNZKCVUMMXYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-11-18-9-13(19)10-20-16-7-6-12-4-2-3-5-14(12)15(16)8-17/h2-7,9,11H,8,10,17H2,1H3.
What are the key properties of [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine is sourced from PubChem (CID 66140699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).