1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine

C14H19F2NO — CID 105039557

IUPAC1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO/c1-10(2)7-8-13(17-3)11-5-4-6-12(9-11)18-14(15)16/h4-6,9,13-14,17H,1,7-8H2,2-3H3
InChIKeyTYORRARWOVCZIE-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.90
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine

1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine (PubChem CID 105039557) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
PubChem CID105039557
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO/c1-10(2)7-8-13(17-3)11-5-4-6-12(9-11)18-14(15)16/h4-6,9,13-14,17H,1,7-8H2,2-3H3
InChIKeyTYORRARWOVCZIE-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-[3-(difluoromethoxy)phenyl]-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848460
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 105024061
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine (CID 105039557) is 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine is C=C(C)CCC(NC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine?
The InChIKey is TYORRARWOVCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(2)7-8-13(17-3)11-5-4-6-12(9-11)18-14(15)16/h4-6,9,13-14,17H,1,7-8H2,2-3H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine?
1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine is sourced from PubChem (CID 105039557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).