2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

C16H25F2N — CID 114933559

IUPAC2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-5-9-16(4,11-19-12(2)3)10-13-14(17)7-6-8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3
InChIKeyJOIBKBLJXHBWMG-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.31
Rot. Bonds7

About 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 114933559) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID114933559
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-5-9-16(4,11-19-12(2)3)10-13-14(17)7-6-8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3
InChIKeyJOIBKBLJXHBWMG-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103041060
2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 55194901
2-methyl-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpentan-1-amine
CID 63507867
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63507865
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 106271410
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 114933559) is 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CNC(C)C)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is JOIBKBLJXHBWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-5-9-16(4,11-19-12(2)3)10-13-14(17)7-6-8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114933559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).