N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide

C13H18F2N2O — CID 144725176

IUPACN'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1cc(C(F)F)c(O)cc1C
InChIInChI=1S/C13H18F2N2O/c1-4-5-17(3)8-16-11-7-10(13(14)15)12(18)6-9(11)2/h6-8,13,18H,4-5H2,1-3H3/b16-8+
InChIKeyWCPQJRKVPLWOHK-LZYBPNLTSA-N
MW256.30 g/mol
LogP3.64
Rot. Bonds5

About N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide

N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide (PubChem CID 144725176) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide
PubChem CID144725176
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1cc(C(F)F)c(O)cc1C
InChIInChI=1S/C13H18F2N2O/c1-4-5-17(3)8-16-11-7-10(13(14)15)12(18)6-9(11)2/h6-8,13,18H,4-5H2,1-3H3/b16-8+
InChIKeyWCPQJRKVPLWOHK-LZYBPNLTSA-N
XLogP3.64
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.64
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

N'-[4-[3,3-bis(trimethylsilyl)propoxy]-5-(difluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 141498795
N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 69048408
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 68588568
N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 129032590
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 163372580
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 12906259
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol
CID 71520132
N'-(3,4-difluoro-2-formylphenyl)-N-methyl-N-propylmethanimidamide
CID 176687600
N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
N'-[4-[4-(difluoromethylsulfanyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322828
N'-[4-[2-[2-(difluoromethoxy)phenyl]acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372361

Frequently Asked Questions

What is the IUPAC name of N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide?
The IUPAC name of N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide (CID 144725176) is N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide.
What is the SMILES notation for N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide?
The canonical SMILES for N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide is CCCN(C)/C=N/c1cc(C(F)F)c(O)cc1C.
What is the InChIKey of N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide?
The InChIKey is WCPQJRKVPLWOHK-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-5-17(3)8-16-11-7-10(13(14)15)12(18)6-9(11)2/h6-8,13,18H,4-5H2,1-3H3/b16-8+.
What are the key properties of N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide?
N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide has a molecular weight of 256.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(difluoromethyl)-4-hydroxy-2-methylphenyl]-N-methyl-N-propylmethanimidamide is sourced from PubChem (CID 144725176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).