N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid

C18H20FNO5 — CID 24761094

IUPACN-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccccc2F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H18FNO.C2H2O4/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17;3-1(4)2(5)6/h2-9,18H,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyWRFVBHUKNMNWNG-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.32
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid

N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid (PubChem CID 24761094) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid
PubChem CID24761094
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccccc2F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H18FNO.C2H2O4/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17;3-1(4)2(5)6/h2-9,18H,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyWRFVBHUKNMNWNG-UHFFFAOYSA-N
XLogP2.32
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine
CID 3016422
Bis(4-methoxybenzyl)amine
CID 714952
(4-Methoxy-benzyl)-naphthalen-1-ylmethyl-amine
CID 17367817
(4-Fluorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846620
N-benzyl-2-(2,4-dimethylphenoxy)ethanamine oxalate
CID 2923269
N-benzyl-2-(mesityloxy)ethanamine oxalate
CID 2934119
N-benzyl-2-(4-fluorophenoxy)-N-methylethanamine oxalate
CID 2934712
1-(3-Fluoro-benzyl)-4-(3-methoxy-benzyl)-piperazine
CID 17367009
[2-(4-Fluoro-phenyl)-ethyl]-(2-methoxy-benzyl)-amine
CID 17367751
N-benzyl-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 17367795
(4-Methoxy-benzyl)-(3-methyl-benzyl)-amine
CID 17367818

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid (CID 24761094) is N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid is COc1ccc(CCNCc2ccccc2F)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid?
The InChIKey is WRFVBHUKNMNWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO.C2H2O4/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17;3-1(4)2(5)6/h2-9,18H,10-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid?
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid has a molecular weight of 349.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;oxalic acid is sourced from PubChem (CID 24761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).