N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid

C19H23NO5 — CID 11609891

IUPACN-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
SMILESCNCCC(Oc1ccccc1C)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO.C2H2O4/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;3-1(4)2(5)6/h3-11,17-18H,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyACTXRVFFPMIYAW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid

N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid (PubChem CID 11609891) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
PubChem CID11609891
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
SMILESCNCCC(Oc1ccccc1C)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO.C2H2O4/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;3-1(4)2(5)6/h3-11,17-18H,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyACTXRVFFPMIYAW-UHFFFAOYSA-N
XLogP2.88
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 146156685
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
tert-butyl N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]carbamate
CID 169443071
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
CID 138738122
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
N-methyl-3-phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenoxy)propan-1-amine;hydrochloride
CID 87836979
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid?
The IUPAC name of N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid (CID 11609891) is N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid?
The canonical SMILES for N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid is CNCCC(Oc1ccccc1C)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid?
The InChIKey is ACTXRVFFPMIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C2H2O4/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;3-1(4)2(5)6/h3-11,17-18H,12-13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid?
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid has a molecular weight of 345.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid is sourced from PubChem (CID 11609891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).