3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine

C17H25ClN2O — CID 43675913

IUPAC3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CN1CCOCC1)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-13(12-20-6-8-21-9-7-20)19-17-10-15(11-17)14-2-4-16(18)5-3-14/h2-5,13,15,17,19H,6-12H2,1H3
InChIKeyDAVJPNOXSWLXFA-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.90
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 43675913) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID43675913
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CN1CCOCC1)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-13(12-20-6-8-21-9-7-20)19-17-10-15(11-17)14-2-4-16(18)5-3-14/h2-5,13,15,17,19H,6-12H2,1H3
InChIKeyDAVJPNOXSWLXFA-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
4-[3-(4-Chlorophenyl)-4-methylpentyl]morpholine
CID 17583223
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanamine
CID 77434493
2-[4-[[1-(4-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572033
N-[[(1R,2R,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl]-2-(2-(18F)fluoroethoxy)-N-methylethanamine
CID 70690423
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(2-ethoxyethyl)-3-methylbutan-1-amine
CID 89928551
2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16461923
US11214540, Example 48
CID 155139081
Morpholine, 4-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-
CID 90292
Morpholine, 4-(2-(N-(alpha-(p-chlorophenyl)benzyl)-N-methylamino)ethyl)-
CID 90995
Morpholine, 4-(2-((4-chloro-alpha-(p-chlorophenyl)phenethyl)amino)ethyl)-, hydrochloride
CID 3052530

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine (CID 43675913) is 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine is CC(CN1CCOCC1)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is DAVJPNOXSWLXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(12-20-6-8-21-9-7-20)19-17-10-15(11-17)14-2-4-16(18)5-3-14/h2-5,13,15,17,19H,6-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 308.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 43675913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).