[3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine

C15H15ClFNO2 — CID 102855559

IUPAC[3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFNO2/c1-19-13-6-5-10(8-18)7-14(13)20-9-11-3-2-4-12(16)15(11)17/h2-7H,8-9,18H2,1H3
InChIKeyJRCNZGKMRWPUFN-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

About [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine

[3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 102855559) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID102855559
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFNO2/c1-19-13-6-5-10(8-18)7-14(13)20-9-11-3-2-4-12(16)15(11)17/h2-7H,8-9,18H2,1H3
InChIKeyJRCNZGKMRWPUFN-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (CID 102855559) is [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1OCc1cccc(Cl)c1F.
What is the InChIKey of [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is JRCNZGKMRWPUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-13-6-5-10(8-18)7-14(13)20-9-11-3-2-4-12(16)15(11)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
[3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 295.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 102855559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).