N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride

C21H21ClFNO — CID 17295925

IUPACN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C21H20FNO.ClH/c22-21-12-5-4-10-19(21)16-24-20-11-6-9-18(13-20)15-23-14-17-7-2-1-3-8-17;/h1-13,23H,14-16H2;1H
InChIKeyKDDMNMLXRSZLSC-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.12
Rot. Bonds7

About N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 17295925) has the molecular formula C21H21ClFNO and a molecular weight of 357.86 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
PubChem CID17295925
Molecular FormulaC21H21ClFNO
Molecular Weight357.86 g/mol
Exact Mass357.13
IUPAC NameN-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.Fc1ccccc1COc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C21H20FNO.ClH/c22-21-12-5-4-10-19(21)16-24-20-11-6-9-18(13-20)15-23-14-17-7-2-1-3-8-17;/h1-13,23H,14-16H2;1H
InChIKeyKDDMNMLXRSZLSC-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 4720686
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
CID 119115289
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120962035
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride (CID 17295925) is N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride is Cl.Fc1ccccc1COc1cccc(CNCc2ccccc2)c1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is KDDMNMLXRSZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO.ClH/c22-21-12-5-4-10-19(21)16-24-20-11-6-9-18(13-20)15-23-14-17-7-2-1-3-8-17;/h1-13,23H,14-16H2;1H.
What are the key properties of N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride?
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 17295925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).