4-(4-aminophenyl)aniline;chloromethane

C13H15ClN2 — CID 174340925

IUPAC4-(4-aminophenyl)aniline;chloromethane
SMILESCCl.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.CH3Cl/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h1-8H,13-14H2;1H3
InChIKeyAJYABCPCERYRNR-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.37
Rot. Bonds1

About 4-(4-aminophenyl)aniline;chloromethane

4-(4-aminophenyl)aniline;chloromethane (PubChem CID 174340925) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;chloromethane.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;chloromethane
PubChem CID174340925
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-(4-aminophenyl)aniline;chloromethane
SMILESCCl.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.CH3Cl/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h1-8H,13-14H2;1H3
InChIKeyAJYABCPCERYRNR-UHFFFAOYSA-N
XLogP3.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
acetylene;4-(4-aminophenyl)aniline
CID 18766839
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
benzene-1,4-diamine;ethane;methane
CID 159498580
4-(4-aminophenyl)aniline;ethoxyphosphane
CID 175385219
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
CID 155487514
benzene-1,4-diamine;methane
CID 158825195

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;chloromethane?
The IUPAC name of 4-(4-aminophenyl)aniline;chloromethane (CID 174340925) is 4-(4-aminophenyl)aniline;chloromethane.
What is the SMILES notation for 4-(4-aminophenyl)aniline;chloromethane?
The canonical SMILES for 4-(4-aminophenyl)aniline;chloromethane is CCl.Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;chloromethane?
The InChIKey is AJYABCPCERYRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.CH3Cl/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h1-8H,13-14H2;1H3.
What are the key properties of 4-(4-aminophenyl)aniline;chloromethane?
4-(4-aminophenyl)aniline;chloromethane has a molecular weight of 234.73 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;chloromethane is sourced from PubChem (CID 174340925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).