(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide

C13H20N2 — CID 174541006

IUPAC(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide
SMILES[H]/N=C(/[C@H](CC)c1ccccc1)N(C)CC
InChIInChI=1S/C13H20N2/c1-4-12(13(14)15(3)5-2)11-9-7-6-8-10-11/h6-10,12,14H,4-5H2,1-3H3/b14-13-/t12-/m1/s1
InChIKeyPSEDFSKTOKNAMS-HUTFPVNGSA-N
MW204.32 g/mol
LogP3.11
Rot. Bonds4

About (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide

(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide (PubChem CID 174541006) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide
PubChem CID174541006
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide
SMILES[H]/N=C(/[C@H](CC)c1ccccc1)N(C)CC
InChIInChI=1S/C13H20N2/c1-4-12(13(14)15(3)5-2)11-9-7-6-8-10-11/h6-10,12,14H,4-5H2,1-3H3/b14-13-/t12-/m1/s1
InChIKeyPSEDFSKTOKNAMS-HUTFPVNGSA-N
XLogP3.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

N,N-diethyl-2,2-diphenylethanimidamide
CID 63179563
2-imino-3-phenylpentanoic acid
CID 174622056
1-(4-chlorophenyl)-2-phenylbutan-1-imine
CID 143568831
(2R)-2-phenylbutanamide
CID 139147476
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
N-benzyl-N-ethyl-2-methylpropanimidamide
CID 63175573
3-[methyl(pentyl)amino]-2-phenylpropanimidamide
CID 64536672
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 64538702
carbonochloridoyl 2-phenylbutanoate
CID 88710388
amino 2-phenylbutanoate
CID 21430295
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide?
The IUPAC name of (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide (CID 174541006) is (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide.
What is the SMILES notation for (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide?
The canonical SMILES for (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide is [H]/N=C(/[C@H](CC)c1ccccc1)N(C)CC.
What is the InChIKey of (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide?
The InChIKey is PSEDFSKTOKNAMS-HUTFPVNGSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-12(13(14)15(3)5-2)11-9-7-6-8-10-11/h6-10,12,14H,4-5H2,1-3H3/b14-13-/t12-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide?
(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-methyl-2-phenylbutanimidamide is sourced from PubChem (CID 174541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).