CID 10962188

C22H26FeINO+2 — CID 10962188

IUPAC—
SMILESCO[C@@H](c1ccccc1)[C@H](C)N(C)C[C]1[CH][CH][C](I)[CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C17H21INO.C5H5.Fe/c1-13(17(20-3)15-7-5-4-6-8-15)19(2)12-14-9-10-16(18)11-14;1-2-4-5-3-1;/h4-11,13,17H,12H2,1-3H3;1-5H;/q;;+2/t13-,17+;;/m0../s1
InChIKeyDOAVFGKLHKQHRK-YUANJJMISA-N
MW503.21 g/mol
LogP4.88
Rot. Bonds6

About CID 10962188

CID 10962188 (PubChem CID 10962188) has the molecular formula C22H26FeINO+2 and a molecular weight of 503.21 g/mol.

Molecular Properties

Compound NameCID 10962188
PubChem CID10962188
Molecular FormulaC22H26FeINO+2
Molecular Weight503.21 g/mol
Exact Mass503.04
IUPAC Name—
SMILESCO[C@@H](c1ccccc1)[C@H](C)N(C)C[C]1[CH][CH][C](I)[CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C17H21INO.C5H5.Fe/c1-13(17(20-3)15-7-5-4-6-8-15)19(2)12-14-9-10-16(18)11-14;1-2-4-5-3-1;/h4-11,13,17H,12H2,1-3H3;1-5H;/q;;+2/t13-,17+;;/m0../s1
InChIKeyDOAVFGKLHKQHRK-YUANJJMISA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 10962188 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

(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
CID 145356517
(1R)-1-[(1R,2R)-2-methoxy-1,2-diphenylethoxy]-N,N-dimethylethanamine
CID 139888708
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
CID 102517713
(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine
CID 10408396
3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
CID 10400953
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767

Frequently Asked Questions

What is the IUPAC name of CID 10962188?
The IUPAC name of CID 10962188 (CID 10962188) is not available.
What is the SMILES notation for CID 10962188?
The canonical SMILES for CID 10962188 is CO[C@@H](c1ccccc1)[C@H](C)N(C)C[C]1[CH][CH][C](I)[CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10962188?
The InChIKey is DOAVFGKLHKQHRK-YUANJJMISA-N. The full InChI is InChI=1S/C17H21INO.C5H5.Fe/c1-13(17(20-3)15-7-5-4-6-8-15)19(2)12-14-9-10-16(18)11-14;1-2-4-5-3-1;/h4-11,13,17H,12H2,1-3H3;1-5H;/q;;+2/t13-,17+;;/m0../s1.
What are the key properties of CID 10962188?
CID 10962188 has a molecular weight of 503.21 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10962188 is sourced from PubChem (CID 10962188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).