1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride

C23H25ClFNO2 — CID 17294212

IUPAC1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccc(C)c1.Cl
InChIInChI=1S/C23H24FNO2.ClH/c1-17-4-3-5-20(12-17)16-27-22-11-8-19(13-23(22)26-2)15-25-14-18-6-9-21(24)10-7-18;/h3-13,25H,14-16H2,1-2H3;1H
InChIKeyRMBGHLQKWNAWLK-UHFFFAOYSA-N
MW401.91 g/mol
LogP5.43
Rot. Bonds8

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

1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride (PubChem CID 17294212) has the molecular formula C23H25ClFNO2 and a molecular weight of 401.91 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
PubChem CID17294212
Molecular FormulaC23H25ClFNO2
Molecular Weight401.91 g/mol
Exact Mass401.16
IUPAC Name1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccc(C)c1.Cl
InChIInChI=1S/C23H24FNO2.ClH/c1-17-4-3-5-20(12-17)16-27-22-11-8-19(13-23(22)26-2)15-25-14-18-6-9-21(24)10-7-18;/h3-13,25H,14-16H2,1-2H3;1H
InChIKeyRMBGHLQKWNAWLK-UHFFFAOYSA-N
XLogP5.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride (CID 17294212) is 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride is COc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccc(C)c1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride?
The InChIKey is RMBGHLQKWNAWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2.ClH/c1-17-4-3-5-20(12-17)16-27-22-11-8-19(13-23(22)26-2)15-25-14-18-6-9-21(24)10-7-18;/h3-13,25H,14-16H2,1-2H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride?
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride has a molecular weight of 401.91 g/mol, XLogP of 5.43, 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-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17294212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).