aniline;1,4-dimethylbenzene-6-ide;yttrium

C14H15NY-2 — CID 59809548

IUPACaniline;1,4-dimethylbenzene-6-ide;yttrium
SMILESCc1[c-]cc(C)cc1.Nc1[c-]cccc1.[Y]
InChIInChI=1S/C8H9.C6H6N.Y/c1-7-3-5-8(2)6-4-7;7-6-4-2-1-3-5-6;/h3-5H,1-2H3;1-4H,7H2;/q2*-1;
InChIKeyBJCUSXRLHWNBFA-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.17
Rot. Bonds

About aniline;1,4-dimethylbenzene-6-ide;yttrium

aniline;1,4-dimethylbenzene-6-ide;yttrium (PubChem CID 59809548) has the molecular formula C14H15NY-2 and a molecular weight of 286.19 g/mol. Its IUPAC name is aniline;1,4-dimethylbenzene-6-ide;yttrium.

Molecular Properties

Compound Nameaniline;1,4-dimethylbenzene-6-ide;yttrium
PubChem CID59809548
Molecular FormulaC14H15NY-2
Molecular Weight286.19 g/mol
Exact Mass286.03
IUPAC Nameaniline;1,4-dimethylbenzene-6-ide;yttrium
SMILESCc1[c-]cc(C)cc1.Nc1[c-]cccc1.[Y]
InChIInChI=1S/C8H9.C6H6N.Y/c1-7-3-5-8(2)6-4-7;7-6-4-2-1-3-5-6;/h3-5H,1-2H3;1-4H,7H2;/q2*-1;
InChIKeyBJCUSXRLHWNBFA-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dimethylidenecyclohexa-1,4-diene-1,4-diamine
CID 21040582
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-3-amine
CID 129169854
(2Z,4Z)-4-ethenyl-5-fluorohepta-2,4,6-trien-3-amine
CID 144303763
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
(1E,3E,5Z,7E)-8-fluoro-4-methylcycloocta-1,3,5,7-tetraen-1-amine
CID 145436775
3-Fluoro-7-methylcyclohepta-1,4,6-trien-1-amine
CID 166826121
(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-amine
CID 166837179
(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine
CID 176946297
Aminodimethylborin
CID 129638394
p-Toluidinchlorzink
CID 129645430

Frequently Asked Questions

What is the IUPAC name of aniline;1,4-dimethylbenzene-6-ide;yttrium?
The IUPAC name of aniline;1,4-dimethylbenzene-6-ide;yttrium (CID 59809548) is aniline;1,4-dimethylbenzene-6-ide;yttrium.
What is the SMILES notation for aniline;1,4-dimethylbenzene-6-ide;yttrium?
The canonical SMILES for aniline;1,4-dimethylbenzene-6-ide;yttrium is Cc1[c-]cc(C)cc1.Nc1[c-]cccc1.[Y].
What is the InChIKey of aniline;1,4-dimethylbenzene-6-ide;yttrium?
The InChIKey is BJCUSXRLHWNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C6H6N.Y/c1-7-3-5-8(2)6-4-7;7-6-4-2-1-3-5-6;/h3-5H,1-2H3;1-4H,7H2;/q2*-1;.
What are the key properties of aniline;1,4-dimethylbenzene-6-ide;yttrium?
aniline;1,4-dimethylbenzene-6-ide;yttrium has a molecular weight of 286.19 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1,4-dimethylbenzene-6-ide;yttrium is sourced from PubChem (CID 59809548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).