N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid

C17H19NO5 — CID 90483636

IUPACN-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
SMILESCOc1ccccc1CNc1cccc(C)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H17NO.C2H2O4/c1-12-6-5-8-14(10-12)16-11-13-7-3-4-9-15(13)17-2;3-1(4)2(5)6/h3-10,16H,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFKEWZAFCZPLJKP-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.77
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid

N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid (PubChem CID 90483636) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
PubChem CID90483636
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
SMILESCOc1ccccc1CNc1cccc(C)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H17NO.C2H2O4/c1-12-6-5-8-14(10-12)16-11-13-7-3-4-9-15(13)17-2;3-1(4)2(5)6/h3-10,16H,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFKEWZAFCZPLJKP-UHFFFAOYSA-N
XLogP2.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
2-[2-[(3-methylanilino)methyl]phenyl]acetic acid
CID 115461361
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
N-(3,5-dimethylphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212083
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-[(2-methoxyphenoxy)methyl]-3-methylaniline
CID 20614867
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid (CID 90483636) is N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid is COc1ccccc1CNc1cccc(C)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid?
The InChIKey is FKEWZAFCZPLJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C2H2O4/c1-12-6-5-8-14(10-12)16-11-13-7-3-4-9-15(13)17-2;3-1(4)2(5)6/h3-10,16H,11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid?
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid has a molecular weight of 317.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid is sourced from PubChem (CID 90483636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).