2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide

C13H21N3O2 — CID 76936773

IUPAC2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H21N3O2/c1-4-16(9-13(14)15-17)8-11-7-10(2)5-6-12(11)18-3/h5-7,17H,4,8-9H2,1-3H3,(H2,14,15)
InChIKeyCBGHMNYIQVCBGV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.57
Rot. Bonds6

About 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide

2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 76936773) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID76936773
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H21N3O2/c1-4-16(9-13(14)15-17)8-11-7-10(2)5-6-12(11)18-3/h5-7,17H,4,8-9H2,1-3H3,(H2,14,15)
InChIKeyCBGHMNYIQVCBGV-UHFFFAOYSA-N
XLogP1.57
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
N'-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]butanimidamide
CID 76987510
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
CID 62155475
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910382
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677
1-[2-(diethylamino)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111389438
N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
CID 77039199
[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea
CID 168532425
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 62161799

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide (CID 76936773) is 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is CBGHMNYIQVCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(9-13(14)15-17)8-11-7-10(2)5-6-12(11)18-3/h5-7,17H,4,8-9H2,1-3H3,(H2,14,15).
What are the key properties of 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide?
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 251.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76936773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).