N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine

C18H27F2N — CID 65018553

IUPACN-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)C1CCCCCCC1
InChIInChI=1S/C18H27F2N/c1-2-12-21-18(14-8-6-4-3-5-7-9-14)16-13-15(19)10-11-17(16)20/h10-11,13-14,18,21H,2-9,12H2,1H3
InChIKeyCBMFDUCIPLHVMD-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.37
Rot. Bonds5

About N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine

N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine (PubChem CID 65018553) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
PubChem CID65018553
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1F)C1CCCCCCC1
InChIInChI=1S/C18H27F2N/c1-2-12-21-18(14-8-6-4-3-5-7-9-14)16-13-15(19)10-11-17(16)20/h10-11,13-14,18,21H,2-9,12H2,1H3
InChIKeyCBMFDUCIPLHVMD-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
N-[(4-chloro-2,5-difluorophenyl)-cyclopentylmethyl]propan-1-amine
CID 115779199
N-[(2,5-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475348
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
CID 84598890
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine (CID 65018553) is N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1F)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine?
The InChIKey is CBMFDUCIPLHVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-12-21-18(14-8-6-4-3-5-7-9-14)16-13-15(19)10-11-17(16)20/h10-11,13-14,18,21H,2-9,12H2,1H3.
What are the key properties of N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine?
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 65018553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).