N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide

C15H21FN2O — CID 155318505

IUPACN-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide
SMILES[H]/N=C(\C)N(C(=C)C(C)(C)COC)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(15(3,4)10-19-5)18(12(2)17)14-8-6-13(16)7-9-14/h6-9,17H,1,10H2,2-5H3/b17-12+
InChIKeyKXYNDIWCIUCKOL-SFQUDFHCSA-N
MW264.34 g/mol
LogP3.82
Rot. Bonds5

About N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide

N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide (PubChem CID 155318505) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide
PubChem CID155318505
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide
SMILES[H]/N=C(\C)N(C(=C)C(C)(C)COC)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(15(3,4)10-19-5)18(12(2)17)14-8-6-13(16)7-9-14/h6-9,17H,1,10H2,2-5H3/b17-12+
InChIKeyKXYNDIWCIUCKOL-SFQUDFHCSA-N
XLogP3.82
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.82
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-fluorophenyl)-N,2,2-trimethylpropanimidamide
CID 63176690
2-(4-fluoro-N-methylanilino)-3-methoxy-2-methylpropanoic acid
CID 115000082
4-(4-fluoro-N-[(3E)-4-fluoropenta-1,3-dien-2-yl]anilino)-3,3-dimethylpent-4-enenitrile
CID 166780331
1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol
CID 114229232
2-N-(4-fluorophenyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 154666973
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
1-(N-ethyl-4-fluoroanilino)-4-methoxy-4-methylpentan-3-one
CID 114228965
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline
CID 146522209
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)-2-methylpropanamide
CID 55121871
(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
CID 157370219
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide?
The IUPAC name of N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide (CID 155318505) is N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide is [H]/N=C(\C)N(C(=C)C(C)(C)COC)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide?
The InChIKey is KXYNDIWCIUCKOL-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(15(3,4)10-19-5)18(12(2)17)14-8-6-13(16)7-9-14/h6-9,17H,1,10H2,2-5H3/b17-12+.
What are the key properties of N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide?
N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide has a molecular weight of 264.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide is sourced from PubChem (CID 155318505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).