4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

C17H22N2O — CID 83002233

IUPAC4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1cccc(Nc2ccc(N)c(OC(C)C)c2)c1C
InChIInChI=1S/C17H22N2O/c1-11(2)20-17-10-14(8-9-15(17)18)19-16-7-5-6-12(3)13(16)4/h5-11,19H,18H2,1-4H3
InChIKeyUWANLWMVEMJZIT-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.42
Rot. Bonds4

About 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002233) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002233
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1cccc(Nc2ccc(N)c(OC(C)C)c2)c1C
InChIInChI=1S/C17H22N2O/c1-11(2)20-17-10-14(8-9-15(17)18)19-16-7-5-6-12(3)13(16)4/h5-11,19H,18H2,1-4H3
InChIKeyUWANLWMVEMJZIT-UHFFFAOYSA-N
XLogP4.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107633687
4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002794
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
4-N-(4-fluoro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83001941
3-(4-amino-3-propan-2-yloxyanilino)-4-methylbenzonitrile
CID 83005086
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
4-N-(4-bromo-2,3-dichlorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107787009
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027093
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-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83002233) is 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is Cc1cccc(Nc2ccc(N)c(OC(C)C)c2)c1C.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is UWANLWMVEMJZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)20-17-10-14(8-9-15(17)18)19-16-7-5-6-12(3)13(16)4/h5-11,19H,18H2,1-4H3.
What are the key properties of 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).