methylbenzene;4-methylbenzene-6-id-1-amine;yttrium

C14H15NY-2 — CID 59809545

IUPACmethylbenzene;4-methylbenzene-6-id-1-amine;yttrium
SMILESCc1[c-]cccc1.Cc1c[c-]c(N)cc1.[Y]
InChIInChI=1S/C7H8N.C7H7.Y/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;/h2-4H,8H2,1H3;2-5H,1H3;/q2*-1;
InChIKeyAVSPTWCIKYGEFD-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.17
Rot. Bonds

About methylbenzene;4-methylbenzene-6-id-1-amine;yttrium

methylbenzene;4-methylbenzene-6-id-1-amine;yttrium (PubChem CID 59809545) has the molecular formula C14H15NY-2 and a molecular weight of 286.19 g/mol. Its IUPAC name is methylbenzene;4-methylbenzene-6-id-1-amine;yttrium.

Molecular Properties

Compound Namemethylbenzene;4-methylbenzene-6-id-1-amine;yttrium
PubChem CID59809545
Molecular FormulaC14H15NY-2
Molecular Weight286.19 g/mol
Exact Mass286.03
IUPAC Namemethylbenzene;4-methylbenzene-6-id-1-amine;yttrium
SMILESCc1[c-]cccc1.Cc1c[c-]c(N)cc1.[Y]
InChIInChI=1S/C7H8N.C7H7.Y/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;/h2-4H,8H2,1H3;2-5H,1H3;/q2*-1;
InChIKeyAVSPTWCIKYGEFD-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'}

Analyze methylbenzene;4-methylbenzene-6-id-1-amine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
CID 126548960
(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-amine
CID 144610893
(3E,5Z)-7-fluoro-3-methylocta-1,3,5-trien-4-amine
CID 144879737
(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine
CID 176946297
p-Toluidinchlorzink
CID 129645430
Dimethyl aminofulvene
CID 129695581
Toluidin-Rhodamin
CID 129888887
(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-amine
CID 142246393
(3Z,5Z)-4-fluoro-2-methylhepta-1,3,5-trien-3-amine
CID 142300231
(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine
CID 142803577
(4E)-5-fluoro-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 170630177

Frequently Asked Questions

What is the IUPAC name of methylbenzene;4-methylbenzene-6-id-1-amine;yttrium?
The IUPAC name of methylbenzene;4-methylbenzene-6-id-1-amine;yttrium (CID 59809545) is methylbenzene;4-methylbenzene-6-id-1-amine;yttrium.
What is the SMILES notation for methylbenzene;4-methylbenzene-6-id-1-amine;yttrium?
The canonical SMILES for methylbenzene;4-methylbenzene-6-id-1-amine;yttrium is Cc1[c-]cccc1.Cc1c[c-]c(N)cc1.[Y].
What is the InChIKey of methylbenzene;4-methylbenzene-6-id-1-amine;yttrium?
The InChIKey is AVSPTWCIKYGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.C7H7.Y/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;/h2-4H,8H2,1H3;2-5H,1H3;/q2*-1;.
What are the key properties of methylbenzene;4-methylbenzene-6-id-1-amine;yttrium?
methylbenzene;4-methylbenzene-6-id-1-amine;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 methylbenzene;4-methylbenzene-6-id-1-amine;yttrium is sourced from PubChem (CID 59809545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).