N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate

C30H37N3O3 — CID 144986902

About N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate

N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate (PubChem CID 144986902) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate.

Molecular Properties

• Compound Name: N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate
• PubChem CID: 144986902
• Molecular Formula: C30H37N3O3
• Molecular Weight: 487.64 g/mol
• Exact Mass: 487.28
• IUPAC Name: N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate
• SMILES: CNc1cnccc1C(=O)OC.COCCN(c1ccc(C2CC2)cc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C22H27NO.C8H10N2O2/c1-24-15-14-23(21-11-8-19(9-12-21)18-6-7-18)22-13-10-17-4-2-3-5-20(17)16-22;1-9-7-5-10-4-3-6(7)8(11)12-2/h8-13,16,18H,2-7,14-15H2,1H3;3-5,9H,1-2H3
• InChIKey: CTJRMYOWAQPXJV-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.64
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate?

The IUPAC name of N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate (CID 144986902) is N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate.

What is the SMILES notation for N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate?

The canonical SMILES for N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate is CNc1cnccc1C(=O)OC.COCCN(c1ccc(C2CC2)cc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate?

The InChIKey is CTJRMYOWAQPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.C8H10N2O2/c1-24-15-14-23(21-11-8-19(9-12-21)18-6-7-18)22-13-10-17-4-2-3-5-20(17)16-22;1-9-7-5-10-4-3-6(7)8(11)12-2/h8-13,16,18H,2-7,14-15H2,1H3;3-5,9H,1-2H3.

What are the key properties of N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate?

N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate has a molecular weight of 487.64 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclopropylphenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydronaphthalen-2-amine;methyl 3-(methylamino)pyridine-4-carboxylate is sourced from PubChem (CID 144986902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).