3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H23F2N — CID 79830832

IUPAC3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-11(2)10-18-8-7-15(3,4)13-9-12(16)5-6-14(13)17/h5-6,9,11,18H,7-8,10H2,1-4H3
InChIKeyUWIUVHKPJBCGPU-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.88
Rot. Bonds6

About 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine

3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79830832) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79830832
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1cc(F)ccc1F
InChIInChI=1S/C15H23F2N/c1-11(2)10-18-8-7-15(3,4)13-9-12(16)5-6-14(13)17/h5-6,9,11,18H,7-8,10H2,1-4H3
InChIKeyUWIUVHKPJBCGPU-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.88
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

3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
3-methyl-N-(2-methylpropyl)-3-(2,4,5-trifluorophenyl)butan-1-amine
CID 103304899
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
3-(5-bromo-2-methylthiophen-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830232
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79830832) is 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UWIUVHKPJBCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)10-18-8-7-15(3,4)13-9-12(16)5-6-14(13)17/h5-6,9,11,18H,7-8,10H2,1-4H3.
What are the key properties of 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79830832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).