N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C16H23F2N — CID 81027831

IUPACN-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1c1c(F)cccc1F
InChIInChI=1S/C16H23F2N/c1-11(2)9-19-10-12-5-3-6-13(12)16-14(17)7-4-8-15(16)18/h4,7-8,11-13,19H,3,5-6,9-10H2,1-2H3
InChIKeyZSGXFORYGYLBBF-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.09
Rot. Bonds5

About N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 81027831) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID81027831
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1c1c(F)cccc1F
InChIInChI=1S/C16H23F2N/c1-11(2)9-19-10-12-5-3-6-13(12)16-14(17)7-4-8-15(16)18/h4,7-8,11-13,19H,3,5-6,9-10H2,1-2H3
InChIKeyZSGXFORYGYLBBF-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 81027831) is N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1c1c(F)cccc1F.
What is the InChIKey of N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZSGXFORYGYLBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)9-19-10-12-5-3-6-13(12)16-14(17)7-4-8-15(16)18/h4,7-8,11-13,19H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81027831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).