1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol

C17H22N2O — CID 54428719

IUPAC1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol
SMILESCc1cc(C(C)(O)c2ccc(N)cc2)c(C)c(C)c1N
InChIInChI=1S/C17H22N2O/c1-10-9-15(11(2)12(3)16(10)19)17(4,20)13-5-7-14(18)8-6-13/h5-9,20H,18-19H2,1-4H3
InChIKeyWFZCOHPBVCLBQE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol

1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol (PubChem CID 54428719) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol
PubChem CID54428719
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol
SMILESCc1cc(C(C)(O)c2ccc(N)cc2)c(C)c(C)c1N
InChIInChI=1S/C17H22N2O/c1-10-9-15(11(2)12(3)16(10)19)17(4,20)13-5-7-14(18)8-6-13/h5-9,20H,18-19H2,1-4H3
InChIKeyWFZCOHPBVCLBQE-UHFFFAOYSA-N
XLogP3.03
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol (CID 54428719) is 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol is Cc1cc(C(C)(O)c2ccc(N)cc2)c(C)c(C)c1N.
What is the InChIKey of 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol?
The InChIKey is WFZCOHPBVCLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10-9-15(11(2)12(3)16(10)19)17(4,20)13-5-7-14(18)8-6-13/h5-9,20H,18-19H2,1-4H3.
What are the key properties of 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol?
1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol has a molecular weight of 270.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1-(4-amino-2,3,5-trimethylphenyl)ethanol is sourced from PubChem (CID 54428719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).