N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine

C16H23F2N — CID 82822142

IUPACN-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)C1CCC(C)C1
InChIInChI=1S/C16H23F2N/c1-4-19-16(12-7-5-10(2)9-12)14-13(17)8-6-11(3)15(14)18/h6,8,10,12,16,19H,4-5,7,9H2,1-3H3
InChIKeyXEGXXKKXTQSXHV-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.36
Rot. Bonds4

About N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine

N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 82822142) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
PubChem CID82822142
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1c(F)ccc(C)c1F)C1CCC(C)C1
InChIInChI=1S/C16H23F2N/c1-4-19-16(12-7-5-10(2)9-12)14-13(17)8-6-11(3)15(14)18/h6,8,10,12,16,19H,4-5,7,9H2,1-3H3
InChIKeyXEGXXKKXTQSXHV-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378
N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989303
[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233118
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(3-bromo-2,6-difluorophenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 106942372
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846782

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine (CID 82822142) is N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine is CCNC(c1c(F)ccc(C)c1F)C1CCC(C)C1.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is XEGXXKKXTQSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-4-19-16(12-7-5-10(2)9-12)14-13(17)8-6-11(3)15(14)18/h6,8,10,12,16,19H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 82822142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).