(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H25N3O — CID 124728151

IUPAC(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCn1cncc1CN(C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H25N3O/c1-20(13-16-12-19-14-21(16)10-11-22-2)18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,12,14,18H,5,7,9-11,13H2,1-2H3/t18-/m1/s1
InChIKeyJCVXNBNJSKWZBW-GOSISDBHSA-N
MW299.42 g/mol
LogP3.04
Rot. Bonds6

About (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 124728151) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID124728151
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCn1cncc1CN(C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H25N3O/c1-20(13-16-12-19-14-21(16)10-11-22-2)18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,12,14,18H,5,7,9-11,13H2,1-2H3/t18-/m1/s1
InChIKeyJCVXNBNJSKWZBW-GOSISDBHSA-N
XLogP3.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 124728151) is (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COCCn1cncc1CN(C)[C@@H]1CCCc2ccccc21.
What is the InChIKey of (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JCVXNBNJSKWZBW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(13-16-12-19-14-21(16)10-11-22-2)18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,12,14,18H,5,7,9-11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 124728151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).