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

C19H22ClN — CID 43634161

IUPAC3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
SMILESClc1ccc(C2CC(NCCCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22ClN/c20-18-10-8-16(9-11-18)17-13-19(14-17)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12-14H2
InChIKeyYOPKRVKKJRZEIR-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.81
Rot. Bonds6

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

3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine (PubChem CID 43634161) has the molecular formula C19H22ClN and a molecular weight of 299.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
PubChem CID43634161
Molecular FormulaC19H22ClN
Molecular Weight299.84 g/mol
Exact Mass299.14
IUPAC Name3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
SMILESClc1ccc(C2CC(NCCCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22ClN/c20-18-10-8-16(9-11-18)17-13-19(14-17)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12-14H2
InChIKeyYOPKRVKKJRZEIR-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
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-(3-ethenoxypropyl)cyclobutan-1-amine
CID 43634769
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
3-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64548273
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine (CID 43634161) is 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine is Clc1ccc(C2CC(NCCCc3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine?
The InChIKey is YOPKRVKKJRZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c20-18-10-8-16(9-11-18)17-13-19(14-17)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12-14H2.
What are the key properties of 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 43634161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).