N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine

C16H25F2N — CID 114935164

IUPACN-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-11(12(2)10-19-16(3,4)5)9-13-14(17)7-6-8-15(13)18/h6-8,11-12,19H,9-10H2,1-5H3
InChIKeyIBNSSSHVRHKSCV-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.17
Rot. Bonds5

About N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine

N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine (PubChem CID 114935164) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine
PubChem CID114935164
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-11(12(2)10-19-16(3,4)5)9-13-14(17)7-6-8-15(13)18/h6-8,11-12,19H,9-10H2,1-5H3
InChIKeyIBNSSSHVRHKSCV-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol
CID 114934806
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
CID 81015548
N'-tert-butyl-N-[(2,6-difluorophenyl)methyl]ethane-1,2-diamine
CID 113405352
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299
N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine
CID 62584833
2-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-difluorobenzene
CID 114934964
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine (CID 114935164) is N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine is CC(CNC(C)(C)C)C(C)Cc1c(F)cccc1F.
What is the InChIKey of N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is IBNSSSHVRHKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-11(12(2)10-19-16(3,4)5)9-13-14(17)7-6-8-15(13)18/h6-8,11-12,19H,9-10H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine?
N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 114935164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).