2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate

C19H25N3O2 — CID 166669406

IUPAC2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
SMILESCC(=NOCc1c(C)cccc1N(C)N)OCCc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-8-7-11-19(22(3)20)18(15)14-24-21-16(2)23-13-12-17-9-5-4-6-10-17/h4-11H,12-14,20H2,1-3H3
InChIKeyPYYPRLQXKWYNGT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.41
Rot. Bonds7

About 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate

2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate (PubChem CID 166669406) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate.

Molecular Properties

Compound Name2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
PubChem CID166669406
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate
SMILESCC(=NOCc1c(C)cccc1N(C)N)OCCc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-8-7-11-19(22(3)20)18(15)14-24-21-16(2)23-13-12-17-9-5-4-6-10-17/h4-11H,12-14,20H2,1-3H3
InChIKeyPYYPRLQXKWYNGT-UHFFFAOYSA-N
XLogP3.41
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.41
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': 'imine_2', '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
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
1-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]ethanone
CID 134300722
2-phenylethyl acetate
CID 7654
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155236368
acetic acid;2-phenylethyl acetate
CID 174791962
1-[[2-[amino(methyl)amino]-6-methylphenyl]methylsulfanyl]-1-methylsulfanyl-N-propan-2-ylmethanimine
CID 166669433
[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate
CID 134557294
2-phenylethyl 2-hydroxy-3-methylbenzoate
CID 15349136
1-(2-iodo-3-methylphenyl)-1-methylhydrazine
CID 155217880
1,3-diamino-1-[2-(methoxymethyl)-3-methylphenyl]-3-methylurea
CID 129110313
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
The IUPAC name of 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate (CID 166669406) is 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate.
What is the SMILES notation for 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
The canonical SMILES for 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate is CC(=NOCc1c(C)cccc1N(C)N)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
The InChIKey is PYYPRLQXKWYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-8-7-11-19(22(3)20)18(15)14-24-21-16(2)23-13-12-17-9-5-4-6-10-17/h4-11H,12-14,20H2,1-3H3.
What are the key properties of 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate?
2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate has a molecular weight of 327.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]ethanimidate is sourced from PubChem (CID 166669406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).