2-methyl-4-phenylbutanimidamide;hydrochloride

C11H17ClN2 — CID 175069791

IUPAC2-methyl-4-phenylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)CCc1ccccc1
InChIInChI=1S/C11H16N2.ClH/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H3,12,13);1H
InChIKeyVTNWVSUYUIBCNQ-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-4-phenylbutanimidamide;hydrochloride

2-methyl-4-phenylbutanimidamide;hydrochloride (PubChem CID 175069791) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-methyl-4-phenylbutanimidamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-phenylbutanimidamide;hydrochloride
PubChem CID175069791
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-methyl-4-phenylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)CCc1ccccc1
InChIInChI=1S/C11H16N2.ClH/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H3,12,13);1H
InChIKeyVTNWVSUYUIBCNQ-UHFFFAOYSA-N
XLogP2.61
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.61
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

(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
(2S)-4-phenylbutan-2-amine
CID 6994564
2-methyl-4-phenylbutanoic acid
CID 66896591
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003
(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride
CID 118255375
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
trimethyl(2-phenylethyl)phosphanium
CID 10777798
2-methyl-1,4-diphenylbutan-1-one
CID 11413736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylbutanimidamide;hydrochloride?
The IUPAC name of 2-methyl-4-phenylbutanimidamide;hydrochloride (CID 175069791) is 2-methyl-4-phenylbutanimidamide;hydrochloride.
What is the SMILES notation for 2-methyl-4-phenylbutanimidamide;hydrochloride?
The canonical SMILES for 2-methyl-4-phenylbutanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylbutanimidamide;hydrochloride?
The InChIKey is VTNWVSUYUIBCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c1-9(11(12)13)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8H2,1H3,(H3,12,13);1H.
What are the key properties of 2-methyl-4-phenylbutanimidamide;hydrochloride?
2-methyl-4-phenylbutanimidamide;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylbutanimidamide;hydrochloride is sourced from PubChem (CID 175069791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).