1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid

C17H18ClNO5 — CID 17365854

IUPAC1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
SMILESCOc1ccccc1CNCc1cccc(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H16ClNO.C2H2O4/c1-18-15-8-3-2-6-13(15)11-17-10-12-5-4-7-14(16)9-12;3-1(4)2(5)6/h2-9,17H,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyRWABJRRNHKBHNU-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid

1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid (PubChem CID 17365854) has the molecular formula C17H18ClNO5 and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
PubChem CID17365854
Molecular FormulaC17H18ClNO5
Molecular Weight351.79 g/mol
Exact Mass351.09
IUPAC Name1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
SMILESCOc1ccccc1CNCc1cccc(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H16ClNO.C2H2O4/c1-18-15-8-3-2-6-13(15)11-17-10-12-5-4-7-14(16)9-12;3-1(4)2(5)6/h2-9,17H,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyRWABJRRNHKBHNU-UHFFFAOYSA-N
XLogP2.79
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.79
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-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
2-(3-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367527
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367883
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]acetic acid
CID 103248717
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid (CID 17365854) is 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid is COc1ccccc1CNCc1cccc(Cl)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
The InChIKey is RWABJRRNHKBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO.C2H2O4/c1-18-15-8-3-2-6-13(15)11-17-10-12-5-4-7-14(16)9-12;3-1(4)2(5)6/h2-9,17H,10-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid has a molecular weight of 351.79 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid is sourced from PubChem (CID 17365854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).