N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride

C17H22Cl2FNO — CID 171151385

IUPACN-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
SMILESCCOc1ccccc1CNCCc1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C17H20FNO.2ClH/c1-2-20-17-6-4-3-5-15(17)13-19-12-11-14-7-9-16(18)10-8-14;;/h3-10,19H,2,11-13H2,1H3;2*1H
InChIKeyRQRSNOYTGXQZCX-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.40
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride

N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride (PubChem CID 171151385) has the molecular formula C17H22Cl2FNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
PubChem CID171151385
Molecular FormulaC17H22Cl2FNO
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
SMILESCCOc1ccccc1CNCCc1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C17H20FNO.2ClH/c1-2-20-17-6-4-3-5-15(17)13-19-12-11-14-7-9-16(18)10-8-14;;/h3-10,19H,2,11-13H2,1H3;2*1H
InChIKeyRQRSNOYTGXQZCX-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208783
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride (CID 171151385) is N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride is CCOc1ccccc1CNCCc1ccc(F)cc1.Cl.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride?
The InChIKey is RQRSNOYTGXQZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO.2ClH/c1-2-20-17-6-4-3-5-15(17)13-19-12-11-14-7-9-16(18)10-8-14;;/h3-10,19H,2,11-13H2,1H3;2*1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride?
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride has a molecular weight of 346.27 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride is sourced from PubChem (CID 171151385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).