dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide

C14H22Cl2FeNO — CID 153290983

IUPACdichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
SMILESCc1cc(C)c([N-]C(C)CC(C)O)c(C)c1.Cl[Fe+]Cl
InChIInChI=1S/C14H22NO.2ClH.Fe/c1-9-6-10(2)14(11(3)7-9)15-12(4)8-13(5)16;;;/h6-7,12-13,16H,8H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyIYTQUAZZMRPFPP-UHFFFAOYSA-L
MW347.09 g/mol
LogP5.15
Rot. Bonds4

About dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide

dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide (PubChem CID 153290983) has the molecular formula C14H22Cl2FeNO and a molecular weight of 347.09 g/mol. Its IUPAC name is dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide.

Molecular Properties

Compound Namedichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
PubChem CID153290983
Molecular FormulaC14H22Cl2FeNO
Molecular Weight347.09 g/mol
Exact Mass346.04
IUPAC Namedichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
SMILESCc1cc(C)c([N-]C(C)CC(C)O)c(C)c1.Cl[Fe+]Cl
InChIInChI=1S/C14H22NO.2ClH.Fe/c1-9-6-10(2)14(11(3)7-9)15-12(4)8-13(5)16;;;/h6-7,12-13,16H,8H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyIYTQUAZZMRPFPP-UHFFFAOYSA-L
XLogP5.15
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.09
LogP ≤ 55.15
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

bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
CID 5246282
aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide
CID 5249761
aluminum;bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);ethane
CID 5249770
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2-(1-chloro-3-methylbutyl)-1,3,5-trimethylbenzene
CID 63431896
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 111456232
ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium
CID 58594809
1-(2,4,6-trimethylanilino)ethanol
CID 160916728
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562

Frequently Asked Questions

What is the IUPAC name of dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide?
The IUPAC name of dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide (CID 153290983) is dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide.
What is the SMILES notation for dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide?
The canonical SMILES for dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide is Cc1cc(C)c([N-]C(C)CC(C)O)c(C)c1.Cl[Fe+]Cl.
What is the InChIKey of dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide?
The InChIKey is IYTQUAZZMRPFPP-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22NO.2ClH.Fe/c1-9-6-10(2)14(11(3)7-9)15-12(4)8-13(5)16;;;/h6-7,12-13,16H,8H2,1-5H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide?
dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide has a molecular weight of 347.09 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide is sourced from PubChem (CID 153290983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).