1-(2,6-difluorophenyl)-N-methyloctan-2-amine

C15H23F2N — CID 114753002

IUPAC1-(2,6-difluorophenyl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1c(F)cccc1F)NC
InChIInChI=1S/C15H23F2N/c1-3-4-5-6-8-12(18-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,3-6,8,11H2,1-2H3
InChIKeySQPIOUJQVAJYOD-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.07
Rot. Bonds8

About 1-(2,6-difluorophenyl)-N-methyloctan-2-amine

1-(2,6-difluorophenyl)-N-methyloctan-2-amine (PubChem CID 114753002) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyloctan-2-amine
PubChem CID114753002
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,6-difluorophenyl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1c(F)cccc1F)NC
InChIInChI=1S/C15H23F2N/c1-3-4-5-6-8-12(18-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,3-6,8,11H2,1-2H3
InChIKeySQPIOUJQVAJYOD-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.07
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

1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000
1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
CID 105033816
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyloctan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyloctan-2-amine (CID 114753002) is 1-(2,6-difluorophenyl)-N-methyloctan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyloctan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyloctan-2-amine is CCCCCCC(Cc1c(F)cccc1F)NC.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyloctan-2-amine?
The InChIKey is SQPIOUJQVAJYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-3-4-5-6-8-12(18-2)11-13-14(16)9-7-10-15(13)17/h7,9-10,12,18H,3-6,8,11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyloctan-2-amine?
1-(2,6-difluorophenyl)-N-methyloctan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyloctan-2-amine is sourced from PubChem (CID 114753002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).