3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine

C15H20ClNO — CID 43634769

IUPAC3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
SMILESC=COCCCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO/c1-2-18-9-3-8-17-15-10-13(11-15)12-4-6-14(16)7-5-12/h2,4-7,13,15,17H,1,3,8-11H2
InChIKeyBUDUSTGPCPOWJN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.73
Rot. Bonds7

About 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine (PubChem CID 43634769) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
PubChem CID43634769
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
SMILESC=COCCCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO/c1-2-18-9-3-8-17-15-10-13(11-15)12-4-6-14(16)7-5-12/h2,4-7,13,15,17H,1,3,8-11H2
InChIKeyBUDUSTGPCPOWJN-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-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

N-(2-but-3-enoxyethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 104530451
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine
CID 43635100
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine (CID 43634769) is 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine is C=COCCCNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine?
The InChIKey is BUDUSTGPCPOWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-18-9-3-8-17-15-10-13(11-15)12-4-6-14(16)7-5-12/h2,4-7,13,15,17H,1,3,8-11H2.
What are the key properties of 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine has a molecular weight of 265.78 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine is sourced from PubChem (CID 43634769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).