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

C21H21ClFNO — CID 17295917

IUPACN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1ccccc1CNCc1ccccc1
InChIInChI=1S/C21H20FNO.ClH/c22-20-12-6-4-11-19(20)16-24-21-13-7-5-10-18(21)15-23-14-17-8-2-1-3-9-17;/h1-13,23H,14-16H2;1H
InChIKeyUEICIDGZRMMWHG-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.12
Rot. Bonds7

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

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 17295917) has the molecular formula C21H21ClFNO and a molecular weight of 357.86 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
PubChem CID17295917
Molecular FormulaC21H21ClFNO
Molecular Weight357.86 g/mol
Exact Mass357.13
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1ccccc1CNCc1ccccc1
InChIInChI=1S/C21H20FNO.ClH/c22-20-12-6-4-11-19(20)16-24-21-13-7-5-10-18(21)15-23-14-17-8-2-1-3-9-17;/h1-13,23H,14-16H2;1H
InChIKeyUEICIDGZRMMWHG-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215455
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332479
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride (CID 17295917) is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride is Cl.Fc1ccccc1COc1ccccc1CNCc1ccccc1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is UEICIDGZRMMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO.ClH/c22-20-12-6-4-11-19(20)16-24-21-13-7-5-10-18(21)15-23-14-17-8-2-1-3-9-17;/h1-13,23H,14-16H2;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 17295917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).