azane;N-phenylaniline

C12H17N3 — CID 67074378

IUPACazane;N-phenylaniline
SMILESN.N.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.2H3N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10,13H;2*1H3
InChIKeyBOWKJPGJOVANJM-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.75
Rot. Bonds2

About azane;N-phenylaniline

azane;N-phenylaniline (PubChem CID 67074378) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is azane;N-phenylaniline.

Molecular Properties

Compound Nameazane;N-phenylaniline
PubChem CID67074378
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameazane;N-phenylaniline
SMILESN.N.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.2H3N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10,13H;2*1H3
InChIKeyBOWKJPGJOVANJM-UHFFFAOYSA-N
XLogP3.75
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazine;N-phenylaniline
CID 159755629
CID 175904297
CID 175904297
sodium;dimethylazanide;N-phenylaniline
CID 87793775
dihydroxy(oxo)phosphanium;N-phenylaniline
CID 174642571
4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
CID 130257526
bis(N-phenylaniline);1,2,2-triphenylethenylbenzene
CID 159300087
4-iodo-N-phenylaniline
CID 11471947
4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130257356
1,1-difluoroethene;N-phenylaniline
CID 175173437
N-phenylaniline;sulfuric acid
CID 11486
tris(N-phenylaniline);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175486042
dibismuth;N-phenylaniline;trisulfate
CID 174856272

Frequently Asked Questions

What is the IUPAC name of azane;N-phenylaniline?
The IUPAC name of azane;N-phenylaniline (CID 67074378) is azane;N-phenylaniline.
What is the SMILES notation for azane;N-phenylaniline?
The canonical SMILES for azane;N-phenylaniline is N.N.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of azane;N-phenylaniline?
The InChIKey is BOWKJPGJOVANJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.2H3N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10,13H;2*1H3.
What are the key properties of azane;N-phenylaniline?
azane;N-phenylaniline has a molecular weight of 203.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-phenylaniline is sourced from PubChem (CID 67074378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).