1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride

C15H17ClFNO — CID 17292771

IUPAC1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C15H16FNO.ClH/c1-18-15-5-3-2-4-13(15)11-17-10-12-6-8-14(16)9-7-12;/h2-9,17H,10-11H2,1H3;1H
InChIKeyVERBQQQDJOPUEW-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride

1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 17292771) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID17292771
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C15H16FNO.ClH/c1-18-15-5-3-2-4-13(15)11-17-10-12-6-8-14(16)9-7-12;/h2-9,17H,10-11H2,1H3;1H
InChIKeyVERBQQQDJOPUEW-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
CID 17208220
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79979679
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 43220838
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride (CID 17292771) is 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride is COc1ccccc1CNCc1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is VERBQQQDJOPUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO.ClH/c1-18-15-5-3-2-4-13(15)11-17-10-12-6-8-14(16)9-7-12;/h2-9,17H,10-11H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride?
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride has a molecular weight of 281.76 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17292771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).