1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine

C14H22ClNO3 — CID 114321772

IUPAC1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
SMILESCOCCOCCOc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C14H22ClNO3/c1-11(16)10-12-13(15)4-3-5-14(12)19-9-8-18-7-6-17-2/h3-5,11H,6-10,16H2,1-2H3
InChIKeyXGLMFBWIJLNAFW-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.27
Rot. Bonds9

About 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine

1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine (PubChem CID 114321772) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
PubChem CID114321772
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
SMILESCOCCOCCOc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C14H22ClNO3/c1-11(16)10-12-13(15)4-3-5-14(12)19-9-8-18-7-6-17-2/h3-5,11H,6-10,16H2,1-2H3
InChIKeyXGLMFBWIJLNAFW-UHFFFAOYSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine 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

1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
1-[2-chloro-6-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 114321854
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one
CID 82899534
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine (CID 114321772) is 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine is COCCOCCOc1cccc(Cl)c1CC(C)N.
What is the InChIKey of 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine?
The InChIKey is XGLMFBWIJLNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-11(16)10-12-13(15)4-3-5-14(12)19-9-8-18-7-6-17-2/h3-5,11H,6-10,16H2,1-2H3.
What are the key properties of 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine?
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine has a molecular weight of 287.79 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 114321772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).