N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine

C17H26FNO — CID 62723780

IUPACN-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C17H26FNO/c1-20-12-11-19-14-17(9-3-2-4-10-17)13-15-5-7-16(18)8-6-15/h5-8,19H,2-4,9-14H2,1H3
InChIKeyJWMJFYRYEDKKFN-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds7

About N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine

N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine (PubChem CID 62723780) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
PubChem CID62723780
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C17H26FNO/c1-20-12-11-19-14-17(9-3-2-4-10-17)13-15-5-7-16(18)8-6-15/h5-8,19H,2-4,9-14H2,1H3
InChIKeyJWMJFYRYEDKKFN-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
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-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
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
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508203
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine (CID 62723780) is N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2ccc(F)cc2)CCCCC1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
The InChIKey is JWMJFYRYEDKKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-20-12-11-19-14-17(9-3-2-4-10-17)13-15-5-7-16(18)8-6-15/h5-8,19H,2-4,9-14H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine?
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).