2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide

C15H25N3O — CID 65488377

IUPAC2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H25N3O/c1-5-13(15(16)17)18(3)11(2)10-12-8-6-7-9-14(12)19-4/h6-9,11,13H,5,10H2,1-4H3,(H3,16,17)
InChIKeyZKXWPUJEQDWBTD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.27
Rot. Bonds7

About 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide

2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide (PubChem CID 65488377) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
PubChem CID65488377
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H25N3O/c1-5-13(15(16)17)18(3)11(2)10-12-8-6-7-9-14(12)19-4/h6-9,11,13H,5,10H2,1-4H3,(H3,16,17)
InChIKeyZKXWPUJEQDWBTD-UHFFFAOYSA-N
XLogP2.27
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
3-(diaminomethylidene)-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylguanidine
CID 83035117
4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
CID 65486598
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide (CID 65488377) is 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide is [H]/N=C(\N)C(CC)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
The InChIKey is ZKXWPUJEQDWBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-13(15(16)17)18(3)11(2)10-12-8-6-7-9-14(12)19-4/h6-9,11,13H,5,10H2,1-4H3,(H3,16,17).
What are the key properties of 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide?
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide is sourced from PubChem (CID 65488377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).