acetylene;4-(4-aminophenyl)aniline

C14H14N2 — CID 18766839

IUPACacetylene;4-(4-aminophenyl)aniline
SMILESC#C.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.C2H2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h1-8H,13-14H2;1-2H
InChIKeyJYSGLCGVSBBGKE-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.77
Rot. Bonds1

About acetylene;4-(4-aminophenyl)aniline

acetylene;4-(4-aminophenyl)aniline (PubChem CID 18766839) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is acetylene;4-(4-aminophenyl)aniline.

Molecular Properties

Compound Nameacetylene;4-(4-aminophenyl)aniline
PubChem CID18766839
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Nameacetylene;4-(4-aminophenyl)aniline
SMILESC#C.Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2.C2H2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h1-8H,13-14H2;1-2H
InChIKeyJYSGLCGVSBBGKE-UHFFFAOYSA-N
XLogP2.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
ethane;4-(4-methylphenyl)aniline
CID 142892908
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
benzene-1,4-diamine;nickel
CID 87271840
4-(4-hydrazinylphenyl)aniline
CID 55280318
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
4-(4-aminophenyl)benzaldehyde
CID 1393544

Frequently Asked Questions

What is the IUPAC name of acetylene;4-(4-aminophenyl)aniline?
The IUPAC name of acetylene;4-(4-aminophenyl)aniline (CID 18766839) is acetylene;4-(4-aminophenyl)aniline.
What is the SMILES notation for acetylene;4-(4-aminophenyl)aniline?
The canonical SMILES for acetylene;4-(4-aminophenyl)aniline is C#C.Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of acetylene;4-(4-aminophenyl)aniline?
The InChIKey is JYSGLCGVSBBGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2H2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h1-8H,13-14H2;1-2H.
What are the key properties of acetylene;4-(4-aminophenyl)aniline?
acetylene;4-(4-aminophenyl)aniline has a molecular weight of 210.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-(4-aminophenyl)aniline is sourced from PubChem (CID 18766839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).