N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine

C14H24N2O — CID 115225872

IUPACN'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
SMILESCOc1cc(C)c(CN(C)CN)cc1C(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)13-7-12(8-16(4)9-15)11(3)6-14(13)17-5/h6-7,10H,8-9,15H2,1-5H3
InChIKeyITORIMXXOPQXOP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds5

About N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine

N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine (PubChem CID 115225872) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
PubChem CID115225872
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
SMILESCOc1cc(C)c(CN(C)CN)cc1C(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)13-7-12(8-16(4)9-15)11(3)6-14(13)17-5/h6-7,10H,8-9,15H2,1-5H3
InChIKeyITORIMXXOPQXOP-UHFFFAOYSA-N
XLogP2.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
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

N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 77083522
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 95452248
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine?
The IUPAC name of N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine (CID 115225872) is N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine is COc1cc(C)c(CN(C)CN)cc1C(C)C.
What is the InChIKey of N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine?
The InChIKey is ITORIMXXOPQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)13-7-12(8-16(4)9-15)11(3)6-14(13)17-5/h6-7,10H,8-9,15H2,1-5H3.
What are the key properties of N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine?
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine has a molecular weight of 236.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine is sourced from PubChem (CID 115225872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).