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

C23H25ClFNO3 — CID 17208035

IUPAC1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1F.Cl
InChIInChI=1S/C23H24FNO3.ClH/c1-26-21-12-6-4-8-17(21)14-25-15-18-10-7-13-22(27-2)23(18)28-16-19-9-3-5-11-20(19)24;/h3-13,25H,14-16H2,1-2H3;1H
InChIKeyBOSPBUXUJKGQRY-UHFFFAOYSA-N
MW417.91 g/mol
LogP5.13
Rot. Bonds9

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

1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 17208035) has the molecular formula C23H25ClFNO3 and a molecular weight of 417.91 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID17208035
Molecular FormulaC23H25ClFNO3
Molecular Weight417.91 g/mol
Exact Mass417.15
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1F.Cl
InChIInChI=1S/C23H24FNO3.ClH/c1-26-21-12-6-4-8-17(21)14-25-15-18-10-7-13-22(27-2)23(18)28-16-19-9-3-5-11-20(19)24;/h3-13,25H,14-16H2,1-2H3;1H
InChIKeyBOSPBUXUJKGQRY-UHFFFAOYSA-N
XLogP5.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.91
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17291289
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N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700
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N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
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N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethane-1,2-diamine
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N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride (CID 17208035) is 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride is COc1ccccc1CNCc1cccc(OC)c1OCc1ccccc1F.Cl.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is BOSPBUXUJKGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3.ClH/c1-26-21-12-6-4-8-17(21)14-25-15-18-10-7-13-22(27-2)23(18)28-16-19-9-3-5-11-20(19)24;/h3-13,25H,14-16H2,1-2H3;1H.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride has a molecular weight of 417.91 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17208035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).