2-methylbenzene-5-id-1-amine;yttrium

C7H8NY- — CID 58454676

IUPAC2-methylbenzene-5-id-1-amine;yttrium
SMILESCc1cc[c-]cc1N.[Y]
InChIInChI=1S/C7H8N.Y/c1-6-4-2-3-5-7(6)8;/h2,4-5H,8H2,1H3;/q-1;
InChIKeyJPXWOMWORHAOHD-UHFFFAOYSA-N
MW195.05 g/mol
LogP1.37
Rot. Bonds

About 2-methylbenzene-5-id-1-amine;yttrium

2-methylbenzene-5-id-1-amine;yttrium (PubChem CID 58454676) has the molecular formula C7H8NY- and a molecular weight of 195.05 g/mol. Its IUPAC name is 2-methylbenzene-5-id-1-amine;yttrium.

Molecular Properties

Compound Name2-methylbenzene-5-id-1-amine;yttrium
PubChem CID58454676
Molecular FormulaC7H8NY-
Molecular Weight195.05 g/mol
Exact Mass194.97
IUPAC Name2-methylbenzene-5-id-1-amine;yttrium
SMILESCc1cc[c-]cc1N.[Y]
InChIInChI=1S/C7H8N.Y/c1-6-4-2-3-5-7(6)8;/h2,4-5H,8H2,1H3;/q-1;
InChIKeyJPXWOMWORHAOHD-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 51.37
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

6-Amino-6-methylfulvene
CID 572231
2-Propylidene allyl amine
CID 129776872
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
(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-2-methylhexa-1,3,5-trien-3-amine
CID 144080154
(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
5-Fluoro-2-methylcyclohexa-1,5-dien-1-amine
CID 163963142
p-Toluidinchlorzink
CID 129645430
Toluidin-Rhodamin
CID 129888887
3-Methylcyclohexa-1,5-dien-1-amine
CID 17766276

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-5-id-1-amine;yttrium?
The IUPAC name of 2-methylbenzene-5-id-1-amine;yttrium (CID 58454676) is 2-methylbenzene-5-id-1-amine;yttrium.
What is the SMILES notation for 2-methylbenzene-5-id-1-amine;yttrium?
The canonical SMILES for 2-methylbenzene-5-id-1-amine;yttrium is Cc1cc[c-]cc1N.[Y].
What is the InChIKey of 2-methylbenzene-5-id-1-amine;yttrium?
The InChIKey is JPXWOMWORHAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.Y/c1-6-4-2-3-5-7(6)8;/h2,4-5H,8H2,1H3;/q-1;.
What are the key properties of 2-methylbenzene-5-id-1-amine;yttrium?
2-methylbenzene-5-id-1-amine;yttrium has a molecular weight of 195.05 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-5-id-1-amine;yttrium is sourced from PubChem (CID 58454676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).