N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid

C19H23NO6 — CID 17052931

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
SMILESCOc1ccc(CNC(C)c2ccccc2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO2.C2H2O4/c1-13(14-7-5-4-6-8-14)18-12-15-9-10-16(19-2)11-17(15)20-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYVAOMQNSAULDQY-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.71
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid

N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid (PubChem CID 17052931) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
PubChem CID17052931
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
SMILESCOc1ccc(CNC(C)c2ccccc2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO2.C2H2O4/c1-13(14-7-5-4-6-8-14)18-12-15-9-10-16(19-2)11-17(15)20-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYVAOMQNSAULDQY-UHFFFAOYSA-N
XLogP2.71
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
2-(2,4-dimethoxyphenyl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986921
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 78950351

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid (CID 17052931) is N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid is COc1ccc(CNC(C)c2ccccc2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid?
The InChIKey is YVAOMQNSAULDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.C2H2O4/c1-13(14-7-5-4-6-8-14)18-12-15-9-10-16(19-2)11-17(15)20-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid?
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid has a molecular weight of 361.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid is sourced from PubChem (CID 17052931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).