2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine

C15H26N2O — CID 115131625

IUPAC2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(NC(C)(C)CN)cc1C(C)C
InChIInChI=1S/C15H26N2O/c1-10(2)12-8-13(17-15(4,5)9-16)11(3)7-14(12)18-6/h7-8,10,17H,9,16H2,1-6H3
InChIKeyZIEJMXARMQMJTO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.28
Rot. Bonds5

About 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine

2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 115131625) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
PubChem CID115131625
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(NC(C)(C)CN)cc1C(C)C
InChIInChI=1S/C15H26N2O/c1-10(2)12-8-13(17-15(4,5)9-16)11(3)7-14(12)18-6/h7-8,10,17H,9,16H2,1-6H3
InChIKeyZIEJMXARMQMJTO-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
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

N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 98784035
2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115251203
3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134461
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
2-(5-chloro-4-methoxy-2-methylanilino)-2-methylpropan-1-ol
CID 115133125
5-(4-methoxy-2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236206
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131601
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine (CID 115131625) is 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine is COc1cc(C)c(NC(C)(C)CN)cc1C(C)C.
What is the InChIKey of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is ZIEJMXARMQMJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)12-8-13(17-15(4,5)9-16)11(3)7-14(12)18-6/h7-8,10,17H,9,16H2,1-6H3.
What are the key properties of 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine?
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).