1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine

C16H25F2N — CID 105055601

IUPAC1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
SMILESCC(CC(N)Cc1c(F)cccc1F)CC(C)(C)C
InChIInChI=1S/C16H25F2N/c1-11(10-16(2,3)4)8-12(19)9-13-14(17)6-5-7-15(13)18/h5-7,11-12H,8-10,19H2,1-4H3
InChIKeyVRCSTFNNCKFNQW-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.30
Rot. Bonds5

About 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine

1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine (PubChem CID 105055601) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
PubChem CID105055601
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
SMILESCC(CC(N)Cc1c(F)cccc1F)CC(C)(C)C
InChIInChI=1S/C16H25F2N/c1-11(10-16(2,3)4)8-12(19)9-13-14(17)6-5-7-15(13)18/h5-7,11-12H,8-10,19H2,1-4H3
InChIKeyVRCSTFNNCKFNQW-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
CID 105377488
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297922
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
1-(3,4-dimethylphenyl)-4,6,6-trimethylheptan-2-amine
CID 115816480
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 114932542
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932102
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine (CID 105055601) is 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine is CC(CC(N)Cc1c(F)cccc1F)CC(C)(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine?
The InChIKey is VRCSTFNNCKFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-11(10-16(2,3)4)8-12(19)9-13-14(17)6-5-7-15(13)18/h5-7,11-12H,8-10,19H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine?
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine has a molecular weight of 269.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine is sourced from PubChem (CID 105055601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).