N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine

C16H24ClNO3 — CID 104565658

IUPACN-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
SMILESCOCCOCCOC(CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO3/c1-19-7-8-20-9-10-21-16(12-18-15-5-6-15)13-3-2-4-14(17)11-13/h2-4,11,15-16,18H,5-10,12H2,1H3
InChIKeyVSYOVJVJUBVTFW-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.81
Rot. Bonds11

About N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine

N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine (PubChem CID 104565658) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
PubChem CID104565658
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC NameN-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
SMILESCOCCOCCOC(CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO3/c1-19-7-8-20-9-10-21-16(12-18-15-5-6-15)13-3-2-4-14(17)11-13/h2-4,11,15-16,18H,5-10,12H2,1H3
InChIKeyVSYOVJVJUBVTFW-UHFFFAOYSA-N
XLogP2.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine 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-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
1-[2-bromo-1-(2-butoxyethoxy)ethyl]-3-chlorobenzene
CID 62107441
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
CID 104565741

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine (CID 104565658) is N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine is COCCOCCOC(CNC1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
The InChIKey is VSYOVJVJUBVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-19-7-8-20-9-10-21-16(12-18-15-5-6-15)13-3-2-4-14(17)11-13/h2-4,11,15-16,18H,5-10,12H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine has a molecular weight of 313.83 g/mol, XLogP of 2.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 104565658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).