4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine

C14H24N2O2 — CID 113449895

IUPAC4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOC(C)(C)CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-10(2)18-13-8-11(6-7-12(13)15)16-9-14(3,4)17-5/h6-8,10,16H,9,15H2,1-5H3
InChIKeyAWPOGGHKQSBUCC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.89
Rot. Bonds6

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

4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 113449895) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID113449895
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOC(C)(C)CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-10(2)18-13-8-11(6-7-12(13)15)16-9-14(3,4)17-5/h6-8,10,16H,9,15H2,1-5H3
InChIKeyAWPOGGHKQSBUCC-UHFFFAOYSA-N
XLogP2.89
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002592
2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 83002469
4-N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002044
3-(4-amino-3-propan-2-yloxyanilino)-3-methylpentan-1-ol
CID 106167028

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 113449895) is 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine is COC(C)(C)CNc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is AWPOGGHKQSBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)18-13-8-11(6-7-12(13)15)16-9-14(3,4)17-5/h6-8,10,16H,9,15H2,1-5H3.
What are the key properties of 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 113449895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).