2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine

C15H26N2O — CID 115131786

IUPAC2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1c(C)cc(N(C)C(C)(C)CN)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-10-8-13(17(6)15(4,5)9-16)11(2)12(3)14(10)18-7/h8H,9,16H2,1-7H3
InChIKeyHRDVPHSCCIENSK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.79
Rot. Bonds4

About 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115131786) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115131786
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1c(C)cc(N(C)C(C)(C)CN)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-10-8-13(17(6)15(4,5)9-16)11(2)12(3)14(10)18-7/h8H,9,16H2,1-7H3
InChIKeyHRDVPHSCCIENSK-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132578
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
CID 115251353
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
2-(4-methoxy-N,2,3,5-tetramethylanilino)ethanethiol
CID 115223814
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
CID 115257305
2-(4-methoxy-N,2,3,5-tetramethylanilino)acetonitrile
CID 115130861
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115131786) is 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1c(C)cc(N(C)C(C)(C)CN)c(C)c1C.
What is the InChIKey of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HRDVPHSCCIENSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-8-13(17(6)15(4,5)9-16)11(2)12(3)14(10)18-7/h8H,9,16H2,1-7H3.
What are the key properties of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115131786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).