4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

C62H67Br2N9O3 — CID 161356958

IUPAC4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
SMILESBrc1ccc(CN2CCOCC2)nc1.CNc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CNc1ccc(Br)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C21H23N3O.C20H21N3O.C11H10BrN.C10H13BrN2O/c1-22-21-9-8-18(19-4-2-3-5-20(19)21)16-6-7-17(23-14-16)15-24-10-12-25-13-11-24;21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13/h2-9,14,22H,10-13,15H2,1H3;1-8,13H,9-12,14,21H2;2-7,13H,1H3;1-2,7H,3-6,8H2
InChIKeyVORDAURFMRMFFC-UHFFFAOYSA-N
MW1146.09 g/mol
LogP12.41
Rot. Bonds10

About 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (PubChem CID 161356958) has the molecular formula C62H67Br2N9O3 and a molecular weight of 1146.09 g/mol. Its IUPAC name is 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
PubChem CID161356958
Molecular FormulaC62H67Br2N9O3
Molecular Weight1146.09 g/mol
Exact Mass1143.37
IUPAC Name4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
SMILESBrc1ccc(CN2CCOCC2)nc1.CNc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CNc1ccc(Br)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C21H23N3O.C20H21N3O.C11H10BrN.C10H13BrN2O/c1-22-21-9-8-18(19-4-2-3-5-20(19)21)16-6-7-17(23-14-16)15-24-10-12-25-13-11-24;21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13/h2-9,14,22H,10-13,15H2,1H3;1-8,13H,9-12,14,21H2;2-7,13H,1H3;1-2,7H,3-6,8H2
InChIKeyVORDAURFMRMFFC-UHFFFAOYSA-N
XLogP12.41
TPSA126.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.09
LogP ≤ 512.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The IUPAC name of 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (CID 161356958) is 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.
What is the SMILES notation for 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The canonical SMILES for 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is Brc1ccc(CN2CCOCC2)nc1.CNc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CNc1ccc(Br)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The InChIKey is VORDAURFMRMFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.C20H21N3O.C11H10BrN.C10H13BrN2O/c1-22-21-9-8-18(19-4-2-3-5-20(19)21)16-6-7-17(23-14-16)15-24-10-12-25-13-11-24;21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13/h2-9,14,22H,10-13,15H2,1H3;1-8,13H,9-12,14,21H2;2-7,13H,1H3;1-2,7H,3-6,8H2.
What are the key properties of 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine has a molecular weight of 1146.09 g/mol, XLogP of 12.41, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is sourced from PubChem (CID 161356958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).