1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine

C13H17F2N — CID 105005725

IUPAC1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-3-9(2)7-10(16)8-11-12(14)5-4-6-13(11)15/h4-6,10H,2-3,7-8,16H2,1H3
InChIKeyYDUJITRIGLRMHL-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine

1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine (PubChem CID 105005725) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
PubChem CID105005725
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-3-9(2)7-10(16)8-11-12(14)5-4-6-13(11)15/h4-6,10H,2-3,7-8,16H2,1H3
InChIKeyYDUJITRIGLRMHL-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.19
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-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
CID 79522636
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411
4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 114932542
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
1-(2,6-difluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 105005647
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
CID 105055601
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine (CID 105005725) is 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine is C=C(CC)CC(N)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine?
The InChIKey is YDUJITRIGLRMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-3-9(2)7-10(16)8-11-12(14)5-4-6-13(11)15/h4-6,10H,2-3,7-8,16H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine?
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine has a molecular weight of 225.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine is sourced from PubChem (CID 105005725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).