[4-[(3-fluorophenyl)methoxy]phenyl]methanamine

C14H14FNO — CID 16772364

IUPAC[4-[(3-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
InChIKeyDLQRSGVKMVGZLB-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.86
Rot. Bonds4

About [4-[(3-fluorophenyl)methoxy]phenyl]methanamine

[4-[(3-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 16772364) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID16772364
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name[4-[(3-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2
InChIKeyDLQRSGVKMVGZLB-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine (CID 16772364) is [4-[(3-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(3-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(3-fluorophenyl)methoxy]phenyl]methanamine is NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is DLQRSGVKMVGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2.
What are the key properties of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine?
[4-[(3-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 16772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).