3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine

C14H20ClNO — CID 43635778

IUPAC3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
SMILESCCOCCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-2-17-8-7-16-14-9-12(10-14)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyIKPWDJFNUTUEOD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.21
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine (PubChem CID 43635778) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
PubChem CID43635778
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
SMILESCCOCCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-2-17-8-7-16-14-9-12(10-14)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyIKPWDJFNUTUEOD-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 104530451
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
CID 43634769
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine (CID 43635778) is 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine is CCOCCNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine?
The InChIKey is IKPWDJFNUTUEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-17-8-7-16-14-9-12(10-14)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 43635778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).