1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine

C17H20N2O3 — CID 3287826

IUPAC1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
SMILESCOc1ccc(C=NNCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H20N2O3/c1-20-15-10-9-14(16(21-2)17(15)22-3)12-19-18-11-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3
InChIKeyZCSHZFGDIWXATK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.84
Rot. Bonds7

About 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine

1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine (PubChem CID 3287826) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
PubChem CID3287826
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
SMILESCOc1ccc(C=NNCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C17H20N2O3/c1-20-15-10-9-14(16(21-2)17(15)22-3)12-19-18-11-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3
InChIKeyZCSHZFGDIWXATK-UHFFFAOYSA-N
XLogP2.84
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839822
N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
CID 133240925
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110839709
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
1-(2-methoxyphenyl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 29147383
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511648
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 3617184

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine?
The IUPAC name of 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine (CID 3287826) is 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine is COc1ccc(C=NNCc2ccccc2)c(OC)c1OC.
What is the InChIKey of 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine?
The InChIKey is ZCSHZFGDIWXATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-20-15-10-9-14(16(21-2)17(15)22-3)12-19-18-11-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3.
What are the key properties of 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine?
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine has a molecular weight of 300.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 3287826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).