N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine

C17H26FNO — CID 62596617

IUPACN-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(F)c2)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-20-12-11-19-14-17(9-4-2-3-5-10-17)15-7-6-8-16(18)13-15/h6-8,13,19H,2-5,9-12,14H2,1H3
InChIKeyQFTNASSBZMLPIV-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.65
Rot. Bonds6

About N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine

N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine (PubChem CID 62596617) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
PubChem CID62596617
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(F)c2)CCCCCC1
InChIInChI=1S/C17H26FNO/c1-20-12-11-19-14-17(9-4-2-3-5-10-17)15-7-6-8-16(18)13-15/h6-8,13,19H,2-5,9-12,14H2,1H3
InChIKeyQFTNASSBZMLPIV-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine (CID 62596617) is N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine is COCCNCC1(c2cccc(F)c2)CCCCCC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine?
The InChIKey is QFTNASSBZMLPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-20-12-11-19-14-17(9-4-2-3-5-10-17)15-7-6-8-16(18)13-15/h6-8,13,19H,2-5,9-12,14H2,1H3.
What are the key properties of N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine?
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62596617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).