N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine

C17H25F2NO — CID 62725191

IUPACN-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(F)ccc2F)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-21-10-9-20-13-17(7-3-2-4-8-17)12-14-11-15(18)5-6-16(14)19/h5-6,11,20H,2-4,7-10,12-13H2,1H3
InChIKeyQCKPHKSPCHOLHH-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.69
Rot. Bonds7

About N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine

N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine (PubChem CID 62725191) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
PubChem CID62725191
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(F)ccc2F)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-21-10-9-20-13-17(7-3-2-4-8-17)12-14-11-15(18)5-6-16(14)19/h5-6,11,20H,2-4,7-10,12-13H2,1H3
InChIKeyQCKPHKSPCHOLHH-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine (CID 62725191) is N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2cc(F)ccc2F)CCCCC1.
What is the InChIKey of N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
The InChIKey is QCKPHKSPCHOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-21-10-9-20-13-17(7-3-2-4-8-17)12-14-11-15(18)5-6-16(14)19/h5-6,11,20H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine has a molecular weight of 297.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62725191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).