N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide

C14H19F3N2 — CID 59495611

IUPACN,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide
SMILESC/C(=N\c1cc(C(C)C)cc(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C14H19F3N2/c1-9(2)11-6-12(14(15,16)17)8-13(7-11)18-10(3)19(4)5/h6-9H,1-5H3/b18-10+
InChIKeyAWAPBUZICBTIDC-VCHYOVAHSA-N
MW272.31 g/mol
LogP4.44
Rot. Bonds2

About N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide

N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 59495611) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID59495611
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide
SMILESC/C(=N\c1cc(C(C)C)cc(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C14H19F3N2/c1-9(2)11-6-12(14(15,16)17)8-13(7-11)18-10(3)19(4)5/h6-9H,1-5H3/b18-10+
InChIKeyAWAPBUZICBTIDC-VCHYOVAHSA-N
XLogP4.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
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-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 82685028
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
1-(3-methylbut-3-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 142096836
bis(benzene-1,3,5-triol);ethane;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;4-propan-2-ylbenzene-1,2-diol
CID 162043519
[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] acetate
CID 102127069
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide
CID 58910211
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 130220413
ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 170788295

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide (CID 59495611) is N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide is C/C(=N\c1cc(C(C)C)cc(C(F)(F)F)c1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is AWAPBUZICBTIDC-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-9(2)11-6-12(14(15,16)17)8-13(7-11)18-10(3)19(4)5/h6-9H,1-5H3/b18-10+.
What are the key properties of N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide?
N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 272.31 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 59495611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).