1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine

C15H20BrF2N — CID 107012101

IUPAC1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H20BrF2N/c1-3-4-5-6-7-8-14(19-2)15-12(17)9-11(16)10-13(15)18/h3,9-10,14,19H,1,4-8H2,2H3
InChIKeySQBAWBMBMYDZIU-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.12
Rot. Bonds8

About 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine

1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine (PubChem CID 107012101) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
PubChem CID107012101
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H20BrF2N/c1-3-4-5-6-7-8-14(19-2)15-12(17)9-11(16)10-13(15)18/h3,9-10,14,19H,1,4-8H2,2H3
InChIKeySQBAWBMBMYDZIU-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.12
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

1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009654
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(3-bromo-4-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107009594
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(5-fluoro-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009456
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
CID 105028817
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine (CID 107012101) is 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine?
The InChIKey is SQBAWBMBMYDZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-3-4-5-6-7-8-14(19-2)15-12(17)9-11(16)10-13(15)18/h3,9-10,14,19H,1,4-8H2,2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine?
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine has a molecular weight of 332.23 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107012101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).