N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide

C9H14N4O — CID 173476131

IUPACN-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide
SMILESCOc1cc(N)ccc1NC=NCN
InChIInChI=1S/C9H14N4O/c1-14-9-4-7(11)2-3-8(9)13-6-12-5-10/h2-4,6H,5,10-11H2,1H3,(H,12,13)
InChIKeyCAJXLVFIORSGIR-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.63
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide

N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide (PubChem CID 173476131) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide
PubChem CID173476131
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide
SMILESCOc1cc(N)ccc1NC=NCN
InChIInChI=1S/C9H14N4O/c1-14-9-4-7(11)2-3-8(9)13-6-12-5-10/h2-4,6H,5,10-11H2,1H3,(H,12,13)
InChIKeyCAJXLVFIORSGIR-UHFFFAOYSA-N
XLogP0.63
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
CID 60859602
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
4-[(Z)-2-amino-1-methoxyethenyl]-3-methoxyaniline
CID 142018135
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
2-[4-(4-amino-2-methoxyanilino)-2,5-dihydroxyanilino]acetaldehyde
CID 123986700
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide (CID 173476131) is N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide is COc1cc(N)ccc1NC=NCN.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide?
The InChIKey is CAJXLVFIORSGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-14-9-4-7(11)2-3-8(9)13-6-12-5-10/h2-4,6H,5,10-11H2,1H3,(H,12,13).
What are the key properties of N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide?
N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-N'-(aminomethyl)methanimidamide is sourced from PubChem (CID 173476131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).