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

C22H23ClFNO — CID 17292837

IUPAC2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22FNO.ClH/c23-21-11-9-18(10-12-21)13-14-24-16-20-7-4-8-22(15-20)25-17-19-5-2-1-3-6-19;/h1-12,15,24H,13-14,16-17H2;1H
InChIKeyQVHRQBAIULDHPA-UHFFFAOYSA-N
MW371.88 g/mol
LogP5.16
Rot. Bonds8

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

2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17292837) has the molecular formula C22H23ClFNO and a molecular weight of 371.88 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17292837
Molecular FormulaC22H23ClFNO
Molecular Weight371.88 g/mol
Exact Mass371.15
IUPAC Name2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22FNO.ClH/c23-21-11-9-18(10-12-21)13-14-24-16-20-7-4-8-22(15-20)25-17-19-5-2-1-3-6-19;/h1-12,15,24H,13-14,16-17H2;1H
InChIKeyQVHRQBAIULDHPA-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 55.16
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-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (CID 17292837) is 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is Cl.Fc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is QVHRQBAIULDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO.ClH/c23-21-11-9-18(10-12-21)13-14-24-16-20-7-4-8-22(15-20)25-17-19-5-2-1-3-6-19;/h1-12,15,24H,13-14,16-17H2;1H.
What are the key properties of 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17292837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).