1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine

C15H15ClFNO — CID 83069553

IUPAC1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine
SMILESCC(NOCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-11(13-7-8-14(16)15(17)9-13)18-19-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3
InChIKeyHDRTZWOVENBMJP-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine

1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine (PubChem CID 83069553) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine
PubChem CID83069553
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine
SMILESCC(NOCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO/c1-11(13-7-8-14(16)15(17)9-13)18-19-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3
InChIKeyHDRTZWOVENBMJP-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.26
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-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine (CID 83069553) is 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine is CC(NOCc1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine?
The InChIKey is HDRTZWOVENBMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-11(13-7-8-14(16)15(17)9-13)18-19-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine?
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-phenylmethoxyethanamine is sourced from PubChem (CID 83069553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).