1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine

C18H28ClNO — CID 19823622

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine
SMILESCCOCCCCC(NC)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H28ClNO/c1-3-21-14-5-4-7-17(20-2)18(12-6-13-18)15-8-10-16(19)11-9-15/h8-11,17,20H,3-7,12-14H2,1-2H3
InChIKeyNJUXSYFCHRLQHZ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.56
Rot. Bonds9

About 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine (PubChem CID 19823622) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine
PubChem CID19823622
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine
SMILESCCOCCCCC(NC)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H28ClNO/c1-3-21-14-5-4-7-17(20-2)18(12-6-13-18)15-8-10-16(19)11-9-15/h8-11,17,20H,3-7,12-14H2,1-2H3
InChIKeyNJUXSYFCHRLQHZ-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.56
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-Desmethylsibutramine
CID 10199199
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-ethoxybutyl)-3-methylbutan-1-amine
CID 71600027
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-methoxybutyl)-3-methylbutan-1-amine
CID 89928835
Desmethylsibutramine hydrochloride
CID 13083195
(alphaS)-1-(4-Chlorophenyl)-N-methyl-alpha-(2-methylpropyl)cyclobutanemethanamine
CID 9838199
US11214540, Example 48
CID 155139081
2-(4-Chlorophenyl)-5-methoxypentan-1-amine
CID 79441976
1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103049068
(2S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-methoxybutan-2-amine
CID 124570612
(R)-Desmethylsibutramine hydrochloride
CID 9836016
R-(+)-Mono-desmethylsibutramine
CID 9836017
(S)-Desmethylsibutramine hydrochloride
CID 11301090

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine (CID 19823622) is 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine is CCOCCCCC(NC)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine?
The InChIKey is NJUXSYFCHRLQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-21-14-5-4-7-17(20-2)18(12-6-13-18)15-8-10-16(19)11-9-15/h8-11,17,20H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine is sourced from PubChem (CID 19823622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).