N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine

C66H83N11O3S — CID 161387684

About N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine

N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 161387684) has the molecular formula C66H83N11O3S and a molecular weight of 1110.53 g/mol. Its IUPAC name is N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

• Compound Name: N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine
• PubChem CID: 161387684
• Molecular Formula: C66H83N11O3S
• Molecular Weight: 1110.53 g/mol
• Exact Mass: 1109.64
• IUPAC Name: N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine
• SMILES: CCN(CC)c1cccc(OC)n1.CN(C)C.CN(c1ccccc1)c1ccc2ncccc2c1.CNC.Cc1ccc(N2CCOCC2)cc1.c1ccc2c(c1)CCN2c1cnccn1.c1ccc2c(c1)OCCN2c1ccsc1
• InChI: InChI=1S/C16H14N2.C12H11N3.C12H11NOS.C11H15NO.C10H16N2O.C3H9N.C2H7N/c1-18(14-7-3-2-4-8-14)15-9-10-16-13(12-15)6-5-11-17-16;1-2-4-11-10(3-1)5-8-15(11)12-9-13-6-7-14-12;1-2-4-12-11(3-1)13(6-7-14-12)10-5-8-15-9-10;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-4-12(5-2)9-7-6-8-10(11-9)13-3;1-4(2)3;1-3-2/h2-12H,1H3;1-4,6-7,9H,5,8H2;1-5,8-9H,6-7H2;2-5H,6-9H2,1H3;6-8H,4-5H2,1-3H3;1-3H3;3H,1-2H3
• InChIKey: VSOLHLWNNAMNLZ-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 110.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.53
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine?

The IUPAC name of N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine (CID 161387684) is N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine.

What is the SMILES notation for N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine?

The canonical SMILES for N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine is CCN(CC)c1cccc(OC)n1.CN(C)C.CN(c1ccccc1)c1ccc2ncccc2c1.CNC.Cc1ccc(N2CCOCC2)cc1.c1ccc2c(c1)CCN2c1cnccn1.c1ccc2c(c1)OCCN2c1ccsc1.

What is the InChIKey of N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine?

The InChIKey is VSOLHLWNNAMNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.C12H11N3.C12H11NOS.C11H15NO.C10H16N2O.C3H9N.C2H7N/c1-18(14-7-3-2-4-8-14)15-9-10-16-13(12-15)6-5-11-17-16;1-2-4-11-10(3-1)5-8-15(11)12-9-13-6-7-14-12;1-2-4-12-11(3-1)13(6-7-14-12)10-5-8-15-9-10;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-4-12(5-2)9-7-6-8-10(11-9)13-3;1-4(2)3;1-3-2/h2-12H,1H3;1-4,6-7,9H,5,8H2;1-5,8-9H,6-7H2;2-5H,6-9H2,1H3;6-8H,4-5H2,1-3H3;1-3H3;3H,1-2H3.

What are the key properties of N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine?

N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 1110.53 g/mol, XLogP of 13.23, 9 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-6-methoxypyridin-2-amine;N,N-dimethylmethanamine;N-methylmethanamine;4-(4-methylphenyl)morpholine;N-methyl-N-phenylquinolin-6-amine;1-pyrazin-2-yl-2,3-dihydroindole;4-thiophen-3-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 161387684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).