1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine

C12H17F2N — CID 60942715

IUPAC1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-8(2)15-9(3)7-10-11(13)5-4-6-12(10)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyMIKGRLPQRFLUJF-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine

1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine (PubChem CID 60942715) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
PubChem CID60942715
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C12H17F2N/c1-8(2)15-9(3)7-10-11(13)5-4-6-12(10)14/h4-6,8-9,15H,7H2,1-3H3
InChIKeyMIKGRLPQRFLUJF-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
CID 115900838
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63450025
1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881680
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 60943839
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63449895
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine (CID 60942715) is 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine is CC(C)NC(C)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is MIKGRLPQRFLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)15-9(3)7-10-11(13)5-4-6-12(10)14/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine?
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.89, 4 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-propan-2-ylpropan-2-amine is sourced from PubChem (CID 60942715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).