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N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H23N3O — CID 114527195

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(OCCc3nccn3C)ccc21
InChIInChI=1S/C17H23N3O/c1-18-16-5-3-4-13-12-14(6-7-15(13)16)21-11-8-17-19-9-10-20(17)2/h6-7,9-10,12,16,18H,3-5,8,11H2,1-2H3
InChIKeyGDDVSCVIDCTEMJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114527195) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114527195
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(OCCc3nccn3C)ccc21
InChIInChI=1S/C17H23N3O/c1-18-16-5-3-4-13-12-14(6-7-15(13)16)21-11-8-17-19-9-10-20(17)2/h6-7,9-10,12,16,18H,3-5,8,11H2,1-2H3
InChIKeyGDDVSCVIDCTEMJ-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114527195) is N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(OCCc3nccn3C)ccc21.
What is the InChIKey of N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GDDVSCVIDCTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-16-5-3-4-13-12-14(6-7-15(13)16)21-11-8-17-19-9-10-20(17)2/h6-7,9-10,12,16,18H,3-5,8,11H2,1-2H3.
What are the key properties of N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114527195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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