[(4-methoxyphenyl)methylamino]methanone;yttrium

C9H10NO2Y- — CID 163392787

IUPAC[(4-methoxyphenyl)methylamino]methanone;yttrium
SMILESCOc1ccc(CN[C-]=O)cc1.[Y]
InChIInChI=1S/C9H10NO2.Y/c1-12-9-4-2-8(3-5-9)6-10-7-11;/h2-5H,6H2,1H3,(H,10,11);/q-1;
InChIKeyBIOGCABUFAFDPH-UHFFFAOYSA-N
MW253.09 g/mol
LogP0.85
Rot. Bonds4

About [(4-methoxyphenyl)methylamino]methanone;yttrium

[(4-methoxyphenyl)methylamino]methanone;yttrium (PubChem CID 163392787) has the molecular formula C9H10NO2Y- and a molecular weight of 253.09 g/mol. Its IUPAC name is [(4-methoxyphenyl)methylamino]methanone;yttrium.

Molecular Properties

Compound Name[(4-methoxyphenyl)methylamino]methanone;yttrium
PubChem CID163392787
Molecular FormulaC9H10NO2Y-
Molecular Weight253.09 g/mol
Exact Mass252.98
IUPAC Name[(4-methoxyphenyl)methylamino]methanone;yttrium
SMILESCOc1ccc(CN[C-]=O)cc1.[Y]
InChIInChI=1S/C9H10NO2.Y/c1-12-9-4-2-8(3-5-9)6-10-7-11;/h2-5H,6H2,1H3,(H,10,11);/q-1;
InChIKeyBIOGCABUFAFDPH-UHFFFAOYSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4-methoxyphenyl)methylamino]methanone;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

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium
CID 161157838
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
CID 22965611
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)methylamino]methanone;yttrium?
The IUPAC name of [(4-methoxyphenyl)methylamino]methanone;yttrium (CID 163392787) is [(4-methoxyphenyl)methylamino]methanone;yttrium.
What is the SMILES notation for [(4-methoxyphenyl)methylamino]methanone;yttrium?
The canonical SMILES for [(4-methoxyphenyl)methylamino]methanone;yttrium is COc1ccc(CN[C-]=O)cc1.[Y].
What is the InChIKey of [(4-methoxyphenyl)methylamino]methanone;yttrium?
The InChIKey is BIOGCABUFAFDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.Y/c1-12-9-4-2-8(3-5-9)6-10-7-11;/h2-5H,6H2,1H3,(H,10,11);/q-1;.
What are the key properties of [(4-methoxyphenyl)methylamino]methanone;yttrium?
[(4-methoxyphenyl)methylamino]methanone;yttrium has a molecular weight of 253.09 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)methylamino]methanone;yttrium is sourced from PubChem (CID 163392787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).