2-[4-(methylamino)phenyl]ethanimidamide

C9H13N3 — CID 161445184

IUPAC2-[4-(methylamino)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(NC)cc1
InChIInChI=1S/C9H13N3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5,12H,6H2,1H3,(H3,10,11)
InChIKeyVZUKOSVJXTYVGN-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.21
Rot. Bonds3

About 2-[4-(methylamino)phenyl]ethanimidamide

2-[4-(methylamino)phenyl]ethanimidamide (PubChem CID 161445184) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]ethanimidamide
PubChem CID161445184
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-[4-(methylamino)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(NC)cc1
InChIInChI=1S/C9H13N3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5,12H,6H2,1H3,(H3,10,11)
InChIKeyVZUKOSVJXTYVGN-UHFFFAOYSA-N
XLogP1.21
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
2-phenylethanimidamide
CID 27787
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
N'-amino-2-[4-(methylamino)phenyl]ethanimidamide
CID 142222438
2-pyridin-4-ylethanimidamide
CID 5078674
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-(6-methyl-3-pyridinyl)ethanimidamide
CID 83676272
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
2-(3-bromo-4-methylphenyl)ethanimidamide
CID 130663671

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(methylamino)phenyl]ethanimidamide (CID 161445184) is 2-[4-(methylamino)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(methylamino)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(methylamino)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(NC)cc1.
What is the InChIKey of 2-[4-(methylamino)phenyl]ethanimidamide?
The InChIKey is VZUKOSVJXTYVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5,12H,6H2,1H3,(H3,10,11).
What are the key properties of 2-[4-(methylamino)phenyl]ethanimidamide?
2-[4-(methylamino)phenyl]ethanimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]ethanimidamide is sourced from PubChem (CID 161445184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).