N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine

C22H25N3O — CID 166634712

IUPACN'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCN
InChIInChI=1S/C22H25N3O/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-24-14-13-23)22(25-21)26-2/h3-12,24H,13-15,23H2,1-2H3
InChIKeyHCQSVFUYLBYDAL-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.78
Rot. Bonds7

About N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine

N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 166634712) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID166634712
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCN
InChIInChI=1S/C22H25N3O/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-24-14-13-23)22(25-21)26-2/h3-12,24H,13-15,23H2,1-2H3
InChIKeyHCQSVFUYLBYDAL-UHFFFAOYSA-N
XLogP3.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine (CID 166634712) is N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCN.
What is the InChIKey of N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is HCQSVFUYLBYDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-19(17-7-4-3-5-8-17)9-6-10-20(16)21-12-11-18(15-24-14-13-23)22(25-21)26-2/h3-12,24H,13-15,23H2,1-2H3.
What are the key properties of N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine?
N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine has a molecular weight of 347.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 166634712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).