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

C17H21ClFNO2 — CID 6463673

IUPACN-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(OCc2ccccc2F)c(OC)c1.Cl
InChIInChI=1S/C17H20FNO2.ClH/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18;/h4-10,19H,3,11-12H2,1-2H3;1H
InChIKeyYNLJAIRPWDHAKR-UHFFFAOYSA-N
MW325.81 g/mol
LogP3.94
Rot. Bonds7

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

N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride (PubChem CID 6463673) has the molecular formula C17H21ClFNO2 and a molecular weight of 325.81 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
PubChem CID6463673
Molecular FormulaC17H21ClFNO2
Molecular Weight325.81 g/mol
Exact Mass325.12
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(OCc2ccccc2F)c(OC)c1.Cl
InChIInChI=1S/C17H20FNO2.ClH/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18;/h4-10,19H,3,11-12H2,1-2H3;1H
InChIKeyYNLJAIRPWDHAKR-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride (CID 6463673) is N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride is CCNCc1ccc(OCc2ccccc2F)c(OC)c1.Cl.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The InChIKey is YNLJAIRPWDHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2.ClH/c1-3-19-11-13-8-9-16(17(10-13)20-2)21-12-14-6-4-5-7-15(14)18;/h4-10,19H,3,11-12H2,1-2H3;1H.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride has a molecular weight of 325.81 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 6463673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).