N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine

C16H24FN — CID 62726182

IUPACN-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccccc2F)CCCCC1
InChIInChI=1S/C16H24FN/c1-2-18-13-16(10-6-3-7-11-16)12-14-8-4-5-9-15(14)17/h4-5,8-9,18H,2-3,6-7,10-13H2,1H3
InChIKeyZZLDJUJMEXAHJE-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.93
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine

N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 62726182) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID62726182
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccccc2F)CCCCC1
InChIInChI=1S/C16H24FN/c1-2-18-13-16(10-6-3-7-11-16)12-14-8-4-5-9-15(14)17/h4-5,8-9,18H,2-3,6-7,10-13H2,1H3
InChIKeyZZLDJUJMEXAHJE-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
CID 63932831
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine (CID 62726182) is N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(Cc2ccccc2F)CCCCC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is ZZLDJUJMEXAHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-18-13-16(10-6-3-7-11-16)12-14-8-4-5-9-15(14)17/h4-5,8-9,18H,2-3,6-7,10-13H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62726182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).