3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide

C14H23N3O — CID 65445995

IUPAC3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCc1ccc(OC)cc1
InChIInChI=1S/C14H23N3O/c1-11(14(15)16)10-17(2)9-8-12-4-6-13(18-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H3,15,16)
InChIKeyARDMFWPFCSBJOZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.74
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide

3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide (PubChem CID 65445995) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide
PubChem CID65445995
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCc1ccc(OC)cc1
InChIInChI=1S/C14H23N3O/c1-11(14(15)16)10-17(2)9-8-12-4-6-13(18-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H3,15,16)
InChIKeyARDMFWPFCSBJOZ-UHFFFAOYSA-N
XLogP1.74
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.74
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

2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
2-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254684
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
CID 61417970
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487404
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
3-[(3-chlorophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 61417021
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119739239

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide (CID 65445995) is 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CCc1ccc(OC)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide?
The InChIKey is ARDMFWPFCSBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(14(15)16)10-17(2)9-8-12-4-6-13(18-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H3,15,16).
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide?
3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide has a molecular weight of 249.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 65445995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).