molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine

C12H15F3MoNO- — CID 177326696

IUPACmolybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
SMILESCOc1ccc(CN(C)C[CH-]C(F)(F)F)cc1.[Mo]
InChIInChI=1S/C12H15F3NO.Mo/c1-16(8-7-12(13,14)15)9-10-3-5-11(17-2)6-4-10;/h3-7H,8-9H2,1-2H3;/q-1;
InChIKeyBIRCJJGLIQHSRW-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.89
Rot. Bonds5

About molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine

molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine (PubChem CID 177326696) has the molecular formula C12H15F3MoNO- and a molecular weight of 342.19 g/mol. Its IUPAC name is molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Namemolybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
PubChem CID177326696
Molecular FormulaC12H15F3MoNO-
Molecular Weight342.19 g/mol
Exact Mass344.02
IUPAC Namemolybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
SMILESCOc1ccc(CN(C)C[CH-]C(F)(F)F)cc1.[Mo]
InChIInChI=1S/C12H15F3NO.Mo/c1-16(8-7-12(13,14)15)9-10-3-5-11(17-2)6-4-10;/h3-7H,8-9H2,1-2H3;/q-1;
InChIKeyBIRCJJGLIQHSRW-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240195
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3,3,3-trifluoro-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420445
2-(bromomethyl)-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 65003826
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303

Frequently Asked Questions

What is the IUPAC name of molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine (CID 177326696) is molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine is COc1ccc(CN(C)C[CH-]C(F)(F)F)cc1.[Mo].
What is the InChIKey of molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is BIRCJJGLIQHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3NO.Mo/c1-16(8-7-12(13,14)15)9-10-3-5-11(17-2)6-4-10;/h3-7H,8-9H2,1-2H3;/q-1;.
What are the key properties of molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine?
molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 342.19 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;3,3,3-trifluoro-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 177326696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).