N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine

C15H26N2O — CID 115226397

IUPACN'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
SMILESCOc1c(C)cc(C(C)(C)CNCN)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-10-7-13(15(4,5)8-17-9-16)11(2)12(3)14(10)18-6/h7,17H,8-9,16H2,1-6H3
InChIKeyUETWJKTXSAFJEX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.40
Rot. Bonds5

About N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine

N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine (PubChem CID 115226397) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
PubChem CID115226397
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
SMILESCOc1c(C)cc(C(C)(C)CNCN)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-10-7-13(15(4,5)8-17-9-16)11(2)12(3)14(10)18-6/h7,17H,8-9,16H2,1-6H3
InChIKeyUETWJKTXSAFJEX-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
N'-[2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197585
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
[[2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropyl]amino]methanethiol
CID 115228572
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
CID 82290788
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
N'-(4-methoxy-3,5-dimethylphenyl)methanediamine
CID 115225476
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine?
The IUPAC name of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine (CID 115226397) is N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine.
What is the SMILES notation for N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine?
The canonical SMILES for N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine is COc1c(C)cc(C(C)(C)CNCN)c(C)c1C.
What is the InChIKey of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine?
The InChIKey is UETWJKTXSAFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-7-13(15(4,5)8-17-9-16)11(2)12(3)14(10)18-6/h7,17H,8-9,16H2,1-6H3.
What are the key properties of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine?
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine has a molecular weight of 250.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine is sourced from PubChem (CID 115226397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).