1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine

C23H25N3O2 — CID 144834428

IUPAC1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine
SMILESCON=C(c1ccccc1)c1cccc(OCc2c(C)cccc2N(C)N)c1
InChIInChI=1S/C23H25N3O2/c1-17-9-7-14-22(26(2)24)21(17)16-28-20-13-8-12-19(15-20)23(25-27-3)18-10-5-4-6-11-18/h4-15H,16,24H2,1-3H3
InChIKeyPYHKTKYSIZRAAH-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.28
Rot. Bonds7

About 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine

1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine (PubChem CID 144834428) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine.

Molecular Properties

Compound Name1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine
PubChem CID144834428
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine
SMILESCON=C(c1ccccc1)c1cccc(OCc2c(C)cccc2N(C)N)c1
InChIInChI=1S/C23H25N3O2/c1-17-9-7-14-22(26(2)24)21(17)16-28-20-13-8-12-19(15-20)23(25-27-3)18-10-5-4-6-11-18/h4-15H,16,24H2,1-3H3
InChIKeyPYHKTKYSIZRAAH-UHFFFAOYSA-N
XLogP4.28
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
CID 144834427
1-[2-[[4-methoxy-3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146632139
1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
CID 139453850
1-[2-[[2-(4-fluorophenyl)-4-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 144739084
1-[2-[[3-(4-fluorophenyl)-4-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146633032
2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
CID 166669406
1-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]ethanone
CID 134300722
1-methyl-4-[3-methyl-2-[[3-(C-phenyl-N-prop-2-enoxycarbonimidoyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 122492527
1,3-diamino-1-methyl-3-[3-methyl-2-[(5-phenyl-3-pyridinyl)oxymethyl]phenyl]urea
CID 146632114
1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine
CID 87106056
1,3-diamino-1-[2-[[3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]urea
CID 146633001
1-[2-[(2,5-dichloro-4-pyridin-2-ylphenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
CID 144773253

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine?
The IUPAC name of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine (CID 144834428) is 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine.
What is the SMILES notation for 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine?
The canonical SMILES for 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine is CON=C(c1ccccc1)c1cccc(OCc2c(C)cccc2N(C)N)c1.
What is the InChIKey of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine?
The InChIKey is PYHKTKYSIZRAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-9-7-14-22(26(2)24)21(17)16-28-20-13-8-12-19(15-20)23(25-27-3)18-10-5-4-6-11-18/h4-15H,16,24H2,1-3H3.
What are the key properties of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine?
1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine has a molecular weight of 375.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine is sourced from PubChem (CID 144834428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).