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

C14H24N2O — CID 115135651

IUPAC1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1c(C)cc(NCC(C)(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-9-7-12(16-8-14(4,5)15)10(2)11(3)13(9)17-6/h7,16H,8,15H2,1-6H3
InChIKeyIUWZPMVJGMDBAC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.77
Rot. Bonds4

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

1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 115135651) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
PubChem CID115135651
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1c(C)cc(NCC(C)(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-9-7-12(16-8-14(4,5)15)10(2)11(3)13(9)17-6/h7,16H,8,15H2,1-6H3
InChIKeyIUWZPMVJGMDBAC-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.77
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

4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
2-amino-3-(4-methoxy-2,3,5-trimethylanilino)propanoic acid
CID 115240470
3-(4-methoxy-2,3,5-trimethylanilino)propane-1-thiol
CID 115224602
3-amino-4-(4-methoxy-2,3,5-trimethylanilino)butanoic acid
CID 115241472
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
CID 115133837
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741
2-(4-methoxy-2,3,5-trimethylphenyl)propane-1,2-diamine
CID 116855587
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine (CID 115135651) is 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine is COc1c(C)cc(NCC(C)(C)N)c(C)c1C.
What is the InChIKey of 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is IUWZPMVJGMDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-7-12(16-8-14(4,5)15)10(2)11(3)13(9)17-6/h7,16H,8,15H2,1-6H3.
What are the key properties of 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine?
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115135651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).