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

C14H15ClFNO — CID 47003377

IUPAC[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FNO.ClH/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;/h1-8H,9-10,16H2;1H
InChIKeyCYPDLWIUOMSUJR-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.29
Rot. Bonds4

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

[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride (PubChem CID 47003377) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride
PubChem CID47003377
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FNO.ClH/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;/h1-8H,9-10,16H2;1H
InChIKeyCYPDLWIUOMSUJR-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.29
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;hydrochloride?
The IUPAC name of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride (CID 47003377) is [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride?
The InChIKey is CYPDLWIUOMSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO.ClH/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;/h1-8H,9-10,16H2;1H.
What are the key properties of [4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride?
[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride has a molecular weight of 267.73 g/mol, XLogP of 3.29, 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;hydrochloride is sourced from PubChem (CID 47003377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).