1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine

C29H31N3O — CID 90196751

IUPAC1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine
SMILESCc1ccc(C(NNCc2ccc(OCc3cccnc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C29H31N3O/c1-21-11-16-28(22(2)18-21)29(25-8-5-4-6-9-25)32-31-19-24-12-14-27(15-13-24)33-20-26-10-7-17-30-23(26)3/h4-18,29,31-32H,19-20H2,1-3H3
InChIKeyJAZAABVDTUWMTQ-UHFFFAOYSA-N
MW437.59 g/mol
LogP5.97
Rot. Bonds9

About 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine

1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine (PubChem CID 90196751) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine
PubChem CID90196751
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine
SMILESCc1ccc(C(NNCc2ccc(OCc3cccnc3C)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C29H31N3O/c1-21-11-16-28(22(2)18-21)29(25-8-5-4-6-9-25)32-31-19-24-12-14-27(15-13-24)33-20-26-10-7-17-30-23(26)3/h4-18,29,31-32H,19-20H2,1-3H3
InChIKeyJAZAABVDTUWMTQ-UHFFFAOYSA-N
XLogP5.97
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]acetamide
CID 71494602
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
CID 71494462
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
ethyl 2-[1-[4-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]phenyl]-2-(2-methyl-3-pyridinyl)ethoxy]acetate
CID 71247934
3-(2,4-dichloro-5-fluorophenyl)-2-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-N,3-diphenylpropanamide
CID 71246375
2-(2,4-dimethylphenyl)-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 71246352
1-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-3-(4-ethoxyphenyl)thiourea
CID 100747354
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
1-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100747897
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide
CID 144523614

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine?
The IUPAC name of 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine (CID 90196751) is 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine is Cc1ccc(C(NNCc2ccc(OCc3cccnc3C)cc2)c2ccccc2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine?
The InChIKey is JAZAABVDTUWMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O/c1-21-11-16-28(22(2)18-21)29(25-8-5-4-6-9-25)32-31-19-24-12-14-27(15-13-24)33-20-26-10-7-17-30-23(26)3/h4-18,29,31-32H,19-20H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine?
1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine has a molecular weight of 437.59 g/mol, XLogP of 5.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]hydrazine is sourced from PubChem (CID 90196751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).