N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C16H23F2N — CID 81028770

IUPACN-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-11(2)9-19-10-12-4-3-5-14(12)15-7-6-13(17)8-16(15)18/h6-8,11-12,14,19H,3-5,9-10H2,1-2H3
InChIKeyLIFNWPIRPPVVRJ-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.09
Rot. Bonds5

About N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 81028770) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID81028770
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-11(2)9-19-10-12-4-3-5-14(12)15-7-6-13(17)8-16(15)18/h6-8,11-12,14,19H,3-5,9-10H2,1-2H3
InChIKeyLIFNWPIRPPVVRJ-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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Related Compounds

N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027831
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026617
N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028348
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
N-[[2-(2,6-difluoro-3-methylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 82805177
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 81028770) is N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1c1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LIFNWPIRPPVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)9-19-10-12-4-3-5-14(12)15-7-6-13(17)8-16(15)18/h6-8,11-12,14,19H,3-5,9-10H2,1-2H3.
What are the key properties of N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,4-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-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81028770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).