4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine

C13H22N2O2 — CID 102694533

IUPAC4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOC(C)CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-9(2)17-13-7-11(5-6-12(13)14)15-8-10(3)16-4/h5-7,9-10,15H,8,14H2,1-4H3
InChIKeyXLVFDPUQIGQODX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.50
Rot. Bonds6

About 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 102694533) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID102694533
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOC(C)CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-9(2)17-13-7-11(5-6-12(13)14)15-8-10(3)16-4/h5-7,9-10,15H,8,14H2,1-4H3
InChIKeyXLVFDPUQIGQODX-UHFFFAOYSA-N
XLogP2.50
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 106394354
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
CID 83142108
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 102694533) is 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine is COC(C)CNc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is XLVFDPUQIGQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)17-13-7-11(5-6-12(13)14)15-8-10(3)16-4/h5-7,9-10,15H,8,14H2,1-4H3.
What are the key properties of 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 102694533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).