1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium

C19H25IrN2O2- — CID 58401448

IUPAC1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium
SMILESCNCc1ccnc(-c2[c-]cc(OC(C)C)cc2OC(C)C)c1.[Ir]
InChIInChI=1S/C19H25N2O2.Ir/c1-13(2)22-16-6-7-17(19(11-16)23-14(3)4)18-10-15(12-20-5)8-9-21-18;/h6,8-11,13-14,20H,12H2,1-5H3;/q-1;
InChIKeySEKXTAPMVDSWAR-UHFFFAOYSA-N
MW505.64 g/mol
LogP3.84
Rot. Bonds7

About 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium

1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium (PubChem CID 58401448) has the molecular formula C19H25IrN2O2- and a molecular weight of 505.64 g/mol. Its IUPAC name is 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium.

Molecular Properties

Compound Name1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium
PubChem CID58401448
Molecular FormulaC19H25IrN2O2-
Molecular Weight505.64 g/mol
Exact Mass506.16
IUPAC Name1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium
SMILESCNCc1ccnc(-c2[c-]cc(OC(C)C)cc2OC(C)C)c1.[Ir]
InChIInChI=1S/C19H25N2O2.Ir/c1-13(2)22-16-6-7-17(19(11-16)23-14(3)4)18-10-15(12-20-5)8-9-21-18;/h6,8-11,13-14,20H,12H2,1-5H3;/q-1;
InChIKeySEKXTAPMVDSWAR-UHFFFAOYSA-N
XLogP3.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;bis(4-hydroxypent-3-en-2-one);tris([5-methoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol);[5-methoxy-2-(4-methyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
CID 161248098
iridium;[5-methoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;pyridine-2-carboxylic acid
CID 58401447
(Z)-4-hydroxypent-3-en-2-one;1-[2-[4-methoxy-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum
CID 58401626
N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106486516
1-[2-[2,4-bis(phenylsulfanyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum;pyridine-2-carboxylic acid
CID 58401801
2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]-4-methylpyridine;2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-methylpyridine;platinum
CID 159099819
2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)
CID 159285722
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-methyl-1-[2-(2-methylpentoxy)-4-pyridinyl]methanamine
CID 103285375
N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium?
The IUPAC name of 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium (CID 58401448) is 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium.
What is the SMILES notation for 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium?
The canonical SMILES for 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium is CNCc1ccnc(-c2[c-]cc(OC(C)C)cc2OC(C)C)c1.[Ir].
What is the InChIKey of 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium?
The InChIKey is SEKXTAPMVDSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O2.Ir/c1-13(2)22-16-6-7-17(19(11-16)23-14(3)4)18-10-15(12-20-5)8-9-21-18;/h6,8-11,13-14,20H,12H2,1-5H3;/q-1;.
What are the key properties of 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium?
1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium has a molecular weight of 505.64 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;iridium is sourced from PubChem (CID 58401448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).