1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine

C15H21F2N — CID 107011543

IUPAC1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H21F2N/c1-3-4-5-6-7-8-13(18)14-12(16)10-9-11(2)15(14)17/h3,9-10,13H,1,4-8,18H2,2H3
InChIKeyYKQANOQCJNFJPH-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.41
Rot. Bonds7

About 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine

1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine (PubChem CID 107011543) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine
PubChem CID107011543
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H21F2N/c1-3-4-5-6-7-8-13(18)14-12(16)10-9-11(2)15(14)17/h3,9-10,13H,1,4-8,18H2,2H3
InChIKeyYKQANOQCJNFJPH-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,6-difluoro-3-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171229550
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
(1R)-1-(2,3,6-trifluorophenyl)pentane-1,5-diamine
CID 171205092
1-(2,3-dimethylphenyl)oct-7-en-1-amine
CID 107011723
(1R)-1-(2,3,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205100
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine (CID 107011543) is 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine is C=CCCCCCC(N)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine?
The InChIKey is YKQANOQCJNFJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-4-5-6-7-8-13(18)14-12(16)10-9-11(2)15(14)17/h3,9-10,13H,1,4-8,18H2,2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine?
1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)oct-7-en-1-amine is sourced from PubChem (CID 107011543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).