N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine

C16H24ClNO2 — CID 63686545

IUPACN-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
SMILESCCCOCCOC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-2-9-19-10-11-20-16(12-18-15-7-8-15)13-3-5-14(17)6-4-13/h3-6,15-16,18H,2,7-12H2,1H3
InChIKeyKMYSOANMSBCSKK-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.58
Rot. Bonds10

About N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine

N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine (PubChem CID 63686545) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
PubChem CID63686545
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
SMILESCCCOCCOC(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-2-9-19-10-11-20-16(12-18-15-7-8-15)13-3-5-14(17)6-4-13/h3-6,15-16,18H,2,7-12H2,1H3
InChIKeyKMYSOANMSBCSKK-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)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

N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204926
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
CID 55036697
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79438020
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine (CID 63686545) is N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine is CCCOCCOC(CNC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
The InChIKey is KMYSOANMSBCSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-9-19-10-11-20-16(12-18-15-7-8-15)13-3-5-14(17)6-4-13/h3-6,15-16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine has a molecular weight of 297.83 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 63686545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).