N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

C20H25FN2O2 — CID 75854207

IUPACN-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2ccccc2F)N2CCOCC2)cc1
InChIInChI=1S/C20H25FN2O2/c1-24-18-8-6-16(7-9-18)20(23-10-12-25-13-11-23)15-22-14-17-4-2-3-5-19(17)21/h2-9,20,22H,10-15H2,1H3
InChIKeyPQRLJTFCFRFLOY-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.00
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (PubChem CID 75854207) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
PubChem CID75854207
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2ccccc2F)N2CCOCC2)cc1
InChIInChI=1S/C20H25FN2O2/c1-24-18-8-6-16(7-9-18)20(23-10-12-25-13-11-23)15-22-14-17-4-2-3-5-19(17)21/h2-9,20,22H,10-15H2,1H3
InChIKeyPQRLJTFCFRFLOY-UHFFFAOYSA-N
XLogP3.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (CID 75854207) is N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is COc1ccc(C(CNCc2ccccc2F)N2CCOCC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is PQRLJTFCFRFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-24-18-8-6-16(7-9-18)20(23-10-12-25-13-11-23)15-22-14-17-4-2-3-5-19(17)21/h2-9,20,22H,10-15H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 344.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 75854207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).