1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene

C74H90N2O4 — CID 157251154

IUPAC1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene
SMILESCOc1cc(C)c2ccccc2c1.COc1cc(C)cc(OC)c1.COc1cc(C)cc2ccccc12.Cc1cc(C)nc(C)c1.Cc1cc(N(C)C)c2ccccc2c1.Cc1ccc(C)cc1.Cc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C13H15N.2C12H12O.C12H18.C9H12O2.C8H11N.C8H10/c1-10-8-11-6-4-5-7-12(11)13(9-10)14(2)3;1-9-7-11(13-2)8-10-5-3-4-6-12(9)10;1-9-7-10-5-3-4-6-11(10)12(8-9)13-2;1-10-5-7-11(8-6-10)9-12(2,3)4;1-7-4-8(10-2)6-9(5-7)11-3;1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7/h4-9H,1-3H3;2*3-8H,1-2H3;5-8H,9H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyAWJAHLFLKVPICG-UHFFFAOYSA-N
MW1071.54 g/mol
LogP19.43
Rot. Bonds6

About 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene

1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene (PubChem CID 157251154) has the molecular formula C74H90N2O4 and a molecular weight of 1071.54 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene
PubChem CID157251154
Molecular FormulaC74H90N2O4
Molecular Weight1071.54 g/mol
Exact Mass1070.69
IUPAC Name1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene
SMILESCOc1cc(C)c2ccccc2c1.COc1cc(C)cc(OC)c1.COc1cc(C)cc2ccccc12.Cc1cc(C)nc(C)c1.Cc1cc(N(C)C)c2ccccc2c1.Cc1ccc(C)cc1.Cc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C13H15N.2C12H12O.C12H18.C9H12O2.C8H11N.C8H10/c1-10-8-11-6-4-5-7-12(11)13(9-10)14(2)3;1-9-7-11(13-2)8-10-5-3-4-6-12(9)10;1-9-7-10-5-3-4-6-11(10)12(8-9)13-2;1-10-5-7-11(8-6-10)9-12(2,3)4;1-7-4-8(10-2)6-9(5-7)11-3;1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7/h4-9H,1-3H3;2*3-8H,1-2H3;5-8H,9H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyAWJAHLFLKVPICG-UHFFFAOYSA-N
XLogP19.43
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.54
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene 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 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene?
The IUPAC name of 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene (CID 157251154) is 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene.
What is the SMILES notation for 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene?
The canonical SMILES for 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene is COc1cc(C)c2ccccc2c1.COc1cc(C)cc(OC)c1.COc1cc(C)cc2ccccc12.Cc1cc(C)nc(C)c1.Cc1cc(N(C)C)c2ccccc2c1.Cc1ccc(C)cc1.Cc1ccc(CC(C)(C)C)cc1.
What is the InChIKey of 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene?
The InChIKey is AWJAHLFLKVPICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.2C12H12O.C12H18.C9H12O2.C8H11N.C8H10/c1-10-8-11-6-4-5-7-12(11)13(9-10)14(2)3;1-9-7-11(13-2)8-10-5-3-4-6-12(9)10;1-9-7-10-5-3-4-6-11(10)12(8-9)13-2;1-10-5-7-11(8-6-10)9-12(2,3)4;1-7-4-8(10-2)6-9(5-7)11-3;1-6-4-7(2)9-8(3)5-6;1-7-3-5-8(2)6-4-7/h4-9H,1-3H3;2*3-8H,1-2H3;5-8H,9H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3.
What are the key properties of 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene?
1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene has a molecular weight of 1071.54 g/mol, XLogP of 19.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methoxy-3-methylnaphthalene;3-methoxy-1-methylnaphthalene;N,N,3-trimethylnaphthalen-1-amine;2,4,6-trimethylpyridine;1,4-xylene is sourced from PubChem (CID 157251154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).