1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride

C22H22ClF2NO2 — CID 17292737

IUPAC1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C22H21F2NO2.ClH/c1-26-22-12-17(14-25-13-16-6-9-19(23)10-7-16)8-11-21(22)27-15-18-4-2-3-5-20(18)24;/h2-12,25H,13-15H2,1H3;1H
InChIKeyVWGFQCAUIYVNIU-UHFFFAOYSA-N
MW405.87 g/mol
LogP5.26
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride

1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride (PubChem CID 17292737) has the molecular formula C22H22ClF2NO2 and a molecular weight of 405.87 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
PubChem CID17292737
Molecular FormulaC22H22ClF2NO2
Molecular Weight405.87 g/mol
Exact Mass405.13
IUPAC Name1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C22H21F2NO2.ClH/c1-26-22-12-17(14-25-13-16-6-9-19(23)10-7-16)8-11-21(22)27-15-18-4-2-3-5-20(18)24;/h2-12,25H,13-15H2,1H3;1H
InChIKeyVWGFQCAUIYVNIU-UHFFFAOYSA-N
XLogP5.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
N-[(2-chlorophenyl)methyl]-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine;hydrochloride
CID 17289780
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66534663
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155047
N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720357
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
N',N'-diethyl-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine
CID 17214986

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride (CID 17292737) is 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride is COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccccc1F.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride?
The InChIKey is VWGFQCAUIYVNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO2.ClH/c1-26-22-12-17(14-25-13-16-6-9-19(23)10-7-16)8-11-21(22)27-15-18-4-2-3-5-20(18)24;/h2-12,25H,13-15H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride?
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride has a molecular weight of 405.87 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17292737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).