1-[4-(4-aminophenyl)anilino]propan-1-ol

C15H18N2O — CID 174762894

IUPAC1-[4-(4-aminophenyl)anilino]propan-1-ol
SMILESCCC(O)Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-15(18)17-14-9-5-12(6-10-14)11-3-7-13(16)8-4-11/h3-10,15,17-18H,2,16H2,1H3
InChIKeyQIGXKQYNZMKPBP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-(4-aminophenyl)anilino]propan-1-ol

1-[4-(4-aminophenyl)anilino]propan-1-ol (PubChem CID 174762894) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)anilino]propan-1-ol.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)anilino]propan-1-ol
PubChem CID174762894
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[4-(4-aminophenyl)anilino]propan-1-ol
SMILESCCC(O)Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-15(18)17-14-9-5-12(6-10-14)11-3-7-13(16)8-4-11/h3-10,15,17-18H,2,16H2,1H3
InChIKeyQIGXKQYNZMKPBP-UHFFFAOYSA-N
XLogP3.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)anilino]propan-1-ol?
The IUPAC name of 1-[4-(4-aminophenyl)anilino]propan-1-ol (CID 174762894) is 1-[4-(4-aminophenyl)anilino]propan-1-ol.
What is the SMILES notation for 1-[4-(4-aminophenyl)anilino]propan-1-ol?
The canonical SMILES for 1-[4-(4-aminophenyl)anilino]propan-1-ol is CCC(O)Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)anilino]propan-1-ol?
The InChIKey is QIGXKQYNZMKPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-15(18)17-14-9-5-12(6-10-14)11-3-7-13(16)8-4-11/h3-10,15,17-18H,2,16H2,1H3.
What are the key properties of 1-[4-(4-aminophenyl)anilino]propan-1-ol?
1-[4-(4-aminophenyl)anilino]propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)anilino]propan-1-ol is sourced from PubChem (CID 174762894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).