N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid

C23H30ClNO5 — CID 18986840

IUPACN-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1cc(Cl)ccc1OCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28ClNO.C2H2O4/c1-3-13-23(14-4-2)15-12-19-16-20(22)10-11-21(19)24-17-18-8-6-5-7-9-18;3-1(4)2(5)6/h5-11,16H,3-4,12-15,17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGOSZSQGDIWWAPO-UHFFFAOYSA-N
MW435.95 g/mol
LogP4.74
Rot. Bonds10

About N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid

N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid (PubChem CID 18986840) has the molecular formula C23H30ClNO5 and a molecular weight of 435.95 g/mol. Its IUPAC name is N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
PubChem CID18986840
Molecular FormulaC23H30ClNO5
Molecular Weight435.95 g/mol
Exact Mass435.18
IUPAC NameN-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1cc(Cl)ccc1OCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H28ClNO.C2H2O4/c1-3-13-23(14-4-2)15-12-19-16-20(22)10-11-21(19)24-17-18-8-6-5-7-9-18;3-1(4)2(5)6/h5-11,16H,3-4,12-15,17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGOSZSQGDIWWAPO-UHFFFAOYSA-N
XLogP4.74
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-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

MCPA-dimethylammonium
CID 62420
N-benzyl-2-(4-chloro-2,6-dimethylphenoxy)ethanamine oxalate
CID 2934159
1-[4-(4-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
4-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
CID 18986847
N-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986854
N-[2-[3,5-dichloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986855
N-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986865
N-[2-[3-[2-(3-chlorophenyl)ethoxy]-4-methoxyphenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986872
N,N-di-n-propyl-4-[5-chloro-2-(2-phenylethoxy)phenyl]butylamine oxalate
CID 18986873
1-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine;oxalic acid
CID 18986899
oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
CID 18986909
N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986916

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
The IUPAC name of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid (CID 18986840) is N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
The canonical SMILES for N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid is CCCN(CCC)CCc1cc(Cl)ccc1OCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
The InChIKey is GOSZSQGDIWWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClNO.C2H2O4/c1-3-13-23(14-4-2)15-12-19-16-20(22)10-11-21(19)24-17-18-8-6-5-7-9-18;3-1(4)2(5)6/h5-11,16H,3-4,12-15,17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid?
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid has a molecular weight of 435.95 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid is sourced from PubChem (CID 18986840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).