1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine

C19H18FNOS — CID 11484228

IUPAC1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1cccc(COc2cccc(CNCc3cccs3)c2)c1
InChIInChI=1S/C19H18FNOS/c20-17-6-1-5-16(10-17)14-22-18-7-2-4-15(11-18)12-21-13-19-8-3-9-23-19/h1-11,21H,12-14H2
InChIKeyXAWRCBMJXRTYSQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.76
Rot. Bonds7

About 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine

1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 11484228) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID11484228
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1cccc(COc2cccc(CNCc3cccs3)c2)c1
InChIInChI=1S/C19H18FNOS/c20-17-6-1-5-16(10-17)14-22-18-7-2-4-15(11-18)12-21-13-19-8-3-9-23-19/h1-11,21H,12-14H2
InChIKeyXAWRCBMJXRTYSQ-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine (CID 11484228) is 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine is Fc1cccc(COc2cccc(CNCc3cccs3)c2)c1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is XAWRCBMJXRTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c20-17-6-1-5-16(10-17)14-22-18-7-2-4-15(11-18)12-21-13-19-8-3-9-23-19/h1-11,21H,12-14H2.
What are the key properties of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 327.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 11484228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).