N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine

C16H23F2N — CID 82827778

IUPACN-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(C2CCCC2CNC(C)C)c1F
InChIInChI=1S/C16H23F2N/c1-10(2)19-9-12-5-4-6-13(12)15-14(17)8-7-11(3)16(15)18/h7-8,10,12-13,19H,4-6,9H2,1-3H3
InChIKeyAJMBLQKOWUDCPG-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.15
Rot. Bonds4

About N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine

N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 82827778) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
PubChem CID82827778
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccc(F)c(C2CCCC2CNC(C)C)c1F
InChIInChI=1S/C16H23F2N/c1-10(2)19-9-12-5-4-6-13(12)15-14(17)8-7-11(3)16(15)18/h7-8,10,12-13,19H,4-6,9H2,1-3H3
InChIKeyAJMBLQKOWUDCPG-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine (CID 82827778) is N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine is Cc1ccc(F)c(C2CCCC2CNC(C)C)c1F.
What is the InChIKey of N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is AJMBLQKOWUDCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10(2)19-9-12-5-4-6-13(12)15-14(17)8-7-11(3)16(15)18/h7-8,10,12-13,19H,4-6,9H2,1-3H3.
What are the key properties of N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 82827778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).