4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

C64H80B2Br2N10O7 — CID 160577389

About 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (PubChem CID 160577389) has the molecular formula C64H80B2Br2N10O7 and a molecular weight of 1282.84 g/mol. Its IUPAC name is 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
• PubChem CID: 160577389
• Molecular Formula: C64H80B2Br2N10O7
• Molecular Weight: 1282.84 g/mol
• Exact Mass: 1280.48
• IUPAC Name: 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
• SMILES: Brc1ccc(CN2CCOCC2)nc1.CCCCB(O)c1ccc(CN2CCOCC2)nc1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.OB(O)c1ccc(CN2CCOCC2)nc1
• InChI: InChI=1S/C20H21N3O.C14H23BN2O2.C10H15BN2O3.C10H13BrN2O.C10H8BrN/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-2-3-6-15(18)13-4-5-14(16-11-13)12-17-7-9-19-10-8-17;14-11(15)9-1-2-10(12-7-9)8-13-3-5-16-6-4-13;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8,13H,9-12,14,21H2;4-5,11,18H,2-3,6-10,12H2,1H3;1-2,7,14-15H,3-6,8H2;1-2,7H,3-6,8H2;1-6H,12H2
• InChIKey: RBIDSJFBFMNLSM-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 214.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.84
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?

The IUPAC name of 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (CID 160577389) is 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.

What is the SMILES notation for 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?

The canonical SMILES for 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is Brc1ccc(CN2CCOCC2)nc1.CCCCB(O)c1ccc(CN2CCOCC2)nc1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.OB(O)c1ccc(CN2CCOCC2)nc1.

What is the InChIKey of 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?

The InChIKey is RBIDSJFBFMNLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C14H23BN2O2.C10H15BN2O3.C10H13BrN2O.C10H8BrN/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-2-3-6-15(18)13-4-5-14(16-11-13)12-17-7-9-19-10-8-17;14-11(15)9-1-2-10(12-7-9)8-13-3-5-16-6-4-13;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8,13H,9-12,14,21H2;4-5,11,18H,2-3,6-10,12H2,1H3;1-2,7,14-15H,3-6,8H2;1-2,7H,3-6,8H2;1-6H,12H2.

What are the key properties of 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?

4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine has a molecular weight of 1282.84 g/mol, XLogP of 7.68, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is sourced from PubChem (CID 160577389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).