1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine

C15H23F2N — CID 115833762

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2N/c1-4-5-6-7-8-13(18-3)14-12(16)10-9-11(2)15(14)17/h9-10,13,18H,4-8H2,1-3H3
InChIKeyRUAFQINIQNVTLE-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.50
Rot. Bonds7

About 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine

1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine (PubChem CID 115833762) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
PubChem CID115833762
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2N/c1-4-5-6-7-8-13(18-3)14-12(16)10-9-11(2)15(14)17/h9-10,13,18H,4-8H2,1-3H3
InChIKeyRUAFQINIQNVTLE-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluoro-3-methylphenyl)hexylhydrazine
CID 105294572
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine (CID 115833762) is 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is RUAFQINIQNVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-5-6-7-8-13(18-3)14-12(16)10-9-11(2)15(14)17/h9-10,13,18H,4-8H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.50, 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)-N-methylheptan-1-amine is sourced from PubChem (CID 115833762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).