N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide

C15H22N2O — CID 65486598

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H22N2O/c1-11(17(2)15(16)12-8-9-12)10-13-6-4-5-7-14(13)18-3/h4-7,11-12,16H,8-10H2,1-3H3/b16-15+
InChIKeyAEYIHFIRPZCHMS-FOCLMDBBSA-N
MW246.35 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide (PubChem CID 65486598) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
PubChem CID65486598
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H22N2O/c1-11(17(2)15(16)12-8-9-12)10-13-6-4-5-7-14(13)18-3/h4-7,11-12,16H,8-10H2,1-3H3/b16-15+
InChIKeyAEYIHFIRPZCHMS-FOCLMDBBSA-N
XLogP2.95
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(diaminomethylidene)-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylguanidine
CID 83035117
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 65488377
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021
N-(1-cyclopropylethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 65487899

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide (CID 65486598) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide is [H]/N=C(\C1CC1)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide?
The InChIKey is AEYIHFIRPZCHMS-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(17(2)15(16)12-8-9-12)10-13-6-4-5-7-14(13)18-3/h4-7,11-12,16H,8-10H2,1-3H3/b16-15+.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide?
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide has a molecular weight of 246.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide is sourced from PubChem (CID 65486598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).