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

C10H14FNO — CID 3865760

IUPACN-[(4-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8H2,1H3
InChIKeyGKBVCPIQDDDVEV-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.56
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-methoxyethanamine (PubChem CID 3865760) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methoxyethanamine
PubChem CID3865760
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8H2,1H3
InChIKeyGKBVCPIQDDDVEV-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.56
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-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxyethanamine (CID 3865760) is N-[(4-fluorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is GKBVCPIQDDDVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methoxyethanamine?
N-[(4-fluorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 3865760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).