4-(4-aminophenyl)-3-propan-2-yloxyaniline

C15H18N2O — CID 141083704

IUPAC4-(4-aminophenyl)-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C15H18N2O/c1-10(2)18-15-9-13(17)7-8-14(15)11-3-5-12(16)6-4-11/h3-10H,16-17H2,1-2H3
InChIKeyUCXNMFZJXRKQRC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.31
Rot. Bonds3

About 4-(4-aminophenyl)-3-propan-2-yloxyaniline

4-(4-aminophenyl)-3-propan-2-yloxyaniline (PubChem CID 141083704) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-propan-2-yloxyaniline
PubChem CID141083704
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(4-aminophenyl)-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C15H18N2O/c1-10(2)18-15-9-13(17)7-8-14(15)11-3-5-12(16)6-4-11/h3-10H,16-17H2,1-2H3
InChIKeyUCXNMFZJXRKQRC-UHFFFAOYSA-N
XLogP3.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-propan-2-yloxyaniline?
The IUPAC name of 4-(4-aminophenyl)-3-propan-2-yloxyaniline (CID 141083704) is 4-(4-aminophenyl)-3-propan-2-yloxyaniline.
What is the SMILES notation for 4-(4-aminophenyl)-3-propan-2-yloxyaniline?
The canonical SMILES for 4-(4-aminophenyl)-3-propan-2-yloxyaniline is CC(C)Oc1cc(N)ccc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-propan-2-yloxyaniline?
The InChIKey is UCXNMFZJXRKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(2)18-15-9-13(17)7-8-14(15)11-3-5-12(16)6-4-11/h3-10H,16-17H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-3-propan-2-yloxyaniline?
4-(4-aminophenyl)-3-propan-2-yloxyaniline has a molecular weight of 242.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-propan-2-yloxyaniline is sourced from PubChem (CID 141083704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).