4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate

C16H22N2O — CID 175596524

IUPAC4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate
SMILESCc1c(C)c(-c2ccc(N)cc2)c(C)c(C)c1N.O
InChIInChI=1S/C16H20N2.H2O/c1-9-11(3)16(18)12(4)10(2)15(9)13-5-7-14(17)8-6-13;/h5-8H,17-18H2,1-4H3;1H2
InChIKeyMAQVKALTTUPJOC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.93
Rot. Bonds1

About 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate

4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate (PubChem CID 175596524) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate
PubChem CID175596524
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate
SMILESCc1c(C)c(-c2ccc(N)cc2)c(C)c(C)c1N.O
InChIInChI=1S/C16H20N2.H2O/c1-9-11(3)16(18)12(4)10(2)15(9)13-5-7-14(17)8-6-13;/h5-8H,17-18H2,1-4H3;1H2
InChIKeyMAQVKALTTUPJOC-UHFFFAOYSA-N
XLogP2.93
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3,5,6-tetramethylphenyl)aniline
CID 54912488
4-(2,3,6-trimethylphenyl)aniline
CID 170384539
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
4-methylaniline trifluoride
CID 22627679
4-methylaniline;trihydrofluoride
CID 70169513
4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
CID 15937172
4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline
CID 87574651
ethane;4-methylaniline;molecular hydrogen;hydrate
CID 144555420
6-(4-methylphenyl)benzene-1,2,3,4,5-pentamine
CID 158961059
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
CID 87615494

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate?
The IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate (CID 175596524) is 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate.
What is the SMILES notation for 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate?
The canonical SMILES for 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate is Cc1c(C)c(-c2ccc(N)cc2)c(C)c(C)c1N.O.
What is the InChIKey of 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate?
The InChIKey is MAQVKALTTUPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.H2O/c1-9-11(3)16(18)12(4)10(2)15(9)13-5-7-14(17)8-6-13;/h5-8H,17-18H2,1-4H3;1H2.
What are the key properties of 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate?
4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate has a molecular weight of 258.37 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate is sourced from PubChem (CID 175596524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).