1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine

C12H15F2N — CID 114474387

IUPAC1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-8(2)3-4-12(15)9-5-10(13)7-11(14)6-9/h5-7,12H,1,3-4,15H2,2H3
InChIKeyUIYJCTFOKGYWEQ-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.32
Rot. Bonds4

About 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine

1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine (PubChem CID 114474387) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
PubChem CID114474387
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-8(2)3-4-12(15)9-5-10(13)7-11(14)6-9/h5-7,12H,1,3-4,15H2,2H3
InChIKeyUIYJCTFOKGYWEQ-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525
1-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
1-(3-chlorophenyl)-4-methylpent-4-en-1-amine
CID 114474120
1-(2,4-difluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039225
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171224083
1-(4-chloro-2-fluorophenyl)-4-methylpent-4-en-1-amine
CID 114474679
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine (CID 114474387) is 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine?
The InChIKey is UIYJCTFOKGYWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8(2)3-4-12(15)9-5-10(13)7-11(14)6-9/h5-7,12H,1,3-4,15H2,2H3.
What are the key properties of 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine?
1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine has a molecular weight of 211.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114474387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).