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

C16H23F2N — CID 81033071

IUPACN-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1Cc1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-11(2)19-10-14-5-3-4-12(14)8-13-6-7-15(17)9-16(13)18/h6-7,9,11-12,14,19H,3-5,8,10H2,1-2H3
InChIKeyQLMMLFRUSHGYIR-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.92
Rot. Bonds5

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

N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 81033071) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID81033071
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1Cc1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-11(2)19-10-14-5-3-4-12(14)8-13-6-7-15(17)9-16(13)18/h6-7,9,11-12,14,19H,3-5,8,10H2,1-2H3
InChIKeyQLMMLFRUSHGYIR-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033901
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034903
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103051836
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine (CID 81033071) is N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1Cc1ccc(F)cc1F.
What is the InChIKey of N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is QLMMLFRUSHGYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)19-10-14-5-3-4-12(14)8-13-6-7-15(17)9-16(13)18/h6-7,9,11-12,14,19H,3-5,8,10H2,1-2H3.
What are the key properties of N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.92, 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)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81033071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).