4-(4-aminophenyl)aniline;2-chlorophenol

C18H17ClN2O — CID 19386561

IUPAC4-(4-aminophenyl)aniline;2-chlorophenol
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Oc1ccccc1Cl
InChIInChI=1S/C12H12N2.C6H5ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-5-3-1-2-4-6(5)8/h1-8H,13-14H2;1-4,8H
InChIKeyDLBNJGHWLFGEFN-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.56
Rot. Bonds1

About 4-(4-aminophenyl)aniline;2-chlorophenol

4-(4-aminophenyl)aniline;2-chlorophenol (PubChem CID 19386561) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;2-chlorophenol.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;2-chlorophenol
PubChem CID19386561
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name4-(4-aminophenyl)aniline;2-chlorophenol
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Oc1ccccc1Cl
InChIInChI=1S/C12H12N2.C6H5ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-5-3-1-2-4-6(5)8/h1-8H,13-14H2;1-4,8H
InChIKeyDLBNJGHWLFGEFN-UHFFFAOYSA-N
XLogP4.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.56
H-Bond Donors ≤ 53
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)aniline;2-chlorophenol?
The IUPAC name of 4-(4-aminophenyl)aniline;2-chlorophenol (CID 19386561) is 4-(4-aminophenyl)aniline;2-chlorophenol.
What is the SMILES notation for 4-(4-aminophenyl)aniline;2-chlorophenol?
The canonical SMILES for 4-(4-aminophenyl)aniline;2-chlorophenol is Nc1ccc(-c2ccc(N)cc2)cc1.Oc1ccccc1Cl.
What is the InChIKey of 4-(4-aminophenyl)aniline;2-chlorophenol?
The InChIKey is DLBNJGHWLFGEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C6H5ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-5-3-1-2-4-6(5)8/h1-8H,13-14H2;1-4,8H.
What are the key properties of 4-(4-aminophenyl)aniline;2-chlorophenol?
4-(4-aminophenyl)aniline;2-chlorophenol has a molecular weight of 312.80 g/mol, XLogP of 4.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;2-chlorophenol is sourced from PubChem (CID 19386561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).