4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine

C11H13F2N — CID 79590280

IUPAC4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cc(F)ccc1F
InChIInChI=1S/C11H13F2N/c1-14-7-3-2-4-9-8-10(12)5-6-11(9)13/h2,4-6,8,14H,3,7H2,1H3
InChIKeyBSRRGXMTWVQHRL-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.59
Rot. Bonds4

About 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine

4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine (PubChem CID 79590280) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
PubChem CID79590280
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cc(F)ccc1F
InChIInChI=1S/C11H13F2N/c1-14-7-3-2-4-9-8-10(12)5-6-11(9)13/h2,4-6,8,14H,3,7H2,1H3
InChIKeyBSRRGXMTWVQHRL-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
N-[4-(2,5-difluorophenyl)but-3-enyl]cyclopropanamine
CID 79590863
4-(4-fluoro-2-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 170495635
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
(E)-6-(2,5-difluorophenyl)-2-methylhex-5-en-2-amine
CID 82473430
5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine
CID 79593591
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
(E)-4-(2,3-difluoro-4-methylphenyl)-N-methylbut-3-en-1-amine
CID 107514676
4-chloro-2-[4-(methylamino)but-1-enyl]aniline
CID 170495448
4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine (CID 79590280) is 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine is CNCCC=Cc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine?
The InChIKey is BSRRGXMTWVQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-14-7-3-2-4-9-8-10(12)5-6-11(9)13/h2,4-6,8,14H,3,7H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine?
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 79590280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).