2-[4-(2-methylpropyl)phenyl]ethanimidamide

C12H18N2 — CID 58177919

IUPAC2-[4-(2-methylpropyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H18N2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H3,13,14)
InChIKeyQTSAZCOKRCCUFD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.36
Rot. Bonds4

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

2-[4-(2-methylpropyl)phenyl]ethanimidamide (PubChem CID 58177919) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]ethanimidamide
PubChem CID58177919
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-[4-(2-methylpropyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H18N2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H3,13,14)
InChIKeyQTSAZCOKRCCUFD-UHFFFAOYSA-N
XLogP2.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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
(2S)-2-amino-3-[4-(2-amino-2-iminoethyl)phenyl]propanoic acid
CID 138546911
(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 6954288
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-phenylethanimidamide
CID 27787
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
methyl 4-(2-methylpropyl)benzenecarboximidothioate
CID 116827867
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]ethanimidamide (CID 58177919) is 2-[4-(2-methylpropyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]ethanimidamide?
The InChIKey is QTSAZCOKRCCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H3,13,14).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]ethanimidamide?
2-[4-(2-methylpropyl)phenyl]ethanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]ethanimidamide is sourced from PubChem (CID 58177919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).