1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride

C15H17ClFNO — CID 2972624

IUPAC1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccccc1OCc1ccccc1F.Cl
InChIInChI=1S/C15H16FNO.ClH/c1-17-10-12-6-3-5-9-15(12)18-11-13-7-2-4-8-14(13)16;/h2-9,17H,10-11H2,1H3;1H
InChIKeyMBBMAKWZUDINJQ-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride

1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 2972624) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
PubChem CID2972624
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccccc1OCc1ccccc1F.Cl
InChIInChI=1S/C15H16FNO.ClH/c1-17-10-12-6-3-5-9-15(12)18-11-13-7-2-4-8-14(13)16;/h2-9,17H,10-11H2,1H3;1H
InChIKeyMBBMAKWZUDINJQ-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride (CID 2972624) is 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride is CNCc1ccccc1OCc1ccccc1F.Cl.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is MBBMAKWZUDINJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO.ClH/c1-17-10-12-6-3-5-9-15(12)18-11-13-7-2-4-8-14(13)16;/h2-9,17H,10-11H2,1H3;1H.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride?
1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 281.76 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 2972624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).