1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine

C16H18FNO — CID 82709593

IUPAC1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine
SMILESCc1ccc(C(C)NOCc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-12-8-9-15(10-16(12)17)13(2)18-19-11-14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyYQNZIBDOZJQYEW-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.92
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine

1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine (PubChem CID 82709593) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine
PubChem CID82709593
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine
SMILESCc1ccc(C(C)NOCc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-12-8-9-15(10-16(12)17)13(2)18-19-11-14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyYQNZIBDOZJQYEW-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine (CID 82709593) is 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine is Cc1ccc(C(C)NOCc2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
The InChIKey is YQNZIBDOZJQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-8-9-15(10-16(12)17)13(2)18-19-11-14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine?
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanamine is sourced from PubChem (CID 82709593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).