N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid

C18H20ClNO5 — CID 2936042

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid
SMILESClc1ccc(OCCNCCc2ccccc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H18ClNO.C2H2O4/c17-15-6-8-16(9-7-15)19-13-12-18-11-10-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-9,18H,10-13H2;(H,3,4)(H,5,6)
InChIKeyLIYKCJILVOEYKC-UHFFFAOYSA-N
MW365.81 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid

N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid (PubChem CID 2936042) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid
PubChem CID2936042
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid
SMILESClc1ccc(OCCNCCc2ccccc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H18ClNO.C2H2O4/c17-15-6-8-16(9-7-15)19-13-12-18-11-10-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-9,18H,10-13H2;(H,3,4)(H,5,6)
InChIKeyLIYKCJILVOEYKC-UHFFFAOYSA-N
XLogP2.71
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;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

4-(4-chlorophenoxy)-N-(2-phenylethyl)butan-1-amine;oxalic acid
CID 2935831
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
CID 82097635
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
3-[3-[4-[3-(4-chlorophenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121328
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
N-(4-chlorophenyl)-2-(2-phenoxyethylamino)acetamide
CID 60647399
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
3-[2-[4-(2-phenoxyethoxy)phenyl]ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 68682395
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
2-[3-[[2-(4-chlorophenoxy)ethylamino]methyl]phenoxy]propanoic acid
CID 70806450
1-[2-(4-chlorophenoxy)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111032317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid (CID 2936042) is N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid is Clc1ccc(OCCNCCc2ccccc2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid?
The InChIKey is LIYKCJILVOEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.C2H2O4/c17-15-6-8-16(9-7-15)19-13-12-18-11-10-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-9,18H,10-13H2;(H,3,4)(H,5,6).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid?
N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid has a molecular weight of 365.81 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid is sourced from PubChem (CID 2936042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).