CID 73056626

C20H23FeN+2 — CID 73056626

IUPAC—
SMILESC[C@@H](N[C@H](C)c1ccccc1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H18N.C5H5.Fe/c1-12(14-8-4-3-5-9-14)16-13(2)15-10-6-7-11-15;1-2-4-5-3-1;/h3-13,16H,1-2H3;1-5H;/q;;+2/t12-,13-;;/m1../s1
InChIKeyZHLGWCBBAFUVBX-SNFSYSBXSA-N
MW333.26 g/mol
LogP4.15
Rot. Bonds4

About CID 73056626

CID 73056626 (PubChem CID 73056626) has the molecular formula C20H23FeN+2 and a molecular weight of 333.26 g/mol.

Molecular Properties

Compound NameCID 73056626
PubChem CID73056626
Molecular FormulaC20H23FeN+2
Molecular Weight333.26 g/mol
Exact Mass333.12
IUPAC Name—
SMILESC[C@@H](N[C@H](C)c1ccccc1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C15H18N.C5H5.Fe/c1-12(14-8-4-3-5-9-14)16-13(2)15-10-6-7-11-15;1-2-4-5-3-1;/h3-13,16H,1-2H3;1-5H;/q;;+2/t12-,13-;;/m1../s1
InChIKeyZHLGWCBBAFUVBX-SNFSYSBXSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
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CID 11050066
CID 11050066
CID 11101944
CID 11101944
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
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Frequently Asked Questions

What is the IUPAC name of CID 73056626?
The IUPAC name of CID 73056626 (CID 73056626) is not available.
What is the SMILES notation for CID 73056626?
The canonical SMILES for CID 73056626 is C[C@@H](N[C@H](C)c1ccccc1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 73056626?
The InChIKey is ZHLGWCBBAFUVBX-SNFSYSBXSA-N. The full InChI is InChI=1S/C15H18N.C5H5.Fe/c1-12(14-8-4-3-5-9-14)16-13(2)15-10-6-7-11-15;1-2-4-5-3-1;/h3-13,16H,1-2H3;1-5H;/q;;+2/t12-,13-;;/m1../s1.
What are the key properties of CID 73056626?
CID 73056626 has a molecular weight of 333.26 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73056626 is sourced from PubChem (CID 73056626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).