3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine

C17H22ClF3N2O — CID 154759381

IUPAC3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine
SMILESFC(F)(F)C(CNC1CC(c2ccccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H22ClF3N2O/c18-15-4-2-1-3-14(15)12-9-13(10-12)22-11-16(17(19,20)21)23-5-7-24-8-6-23/h1-4,12-13,16,22H,5-11H2
InChIKeyBZZOUUKEUYAOFT-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.44
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine

3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine (PubChem CID 154759381) has the molecular formula C17H22ClF3N2O and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine
PubChem CID154759381
Molecular FormulaC17H22ClF3N2O
Molecular Weight362.82 g/mol
Exact Mass362.14
IUPAC Name3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine
SMILESFC(F)(F)C(CNC1CC(c2ccccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H22ClF3N2O/c18-15-4-2-1-3-14(15)12-9-13(10-12)22-11-16(17(19,20)21)23-5-7-24-8-6-23/h1-4,12-13,16,22H,5-11H2
InChIKeyBZZOUUKEUYAOFT-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
CID 106099993
3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 107163294
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
CID 79551184
N-[3-(2-chlorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634888
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
CID 106333820
3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
CID 61018599
1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246004
3-(2-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79003721
3-(2-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80680673

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine (CID 154759381) is 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine is FC(F)(F)C(CNC1CC(c2ccccc2Cl)C1)N1CCOCC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine?
The InChIKey is BZZOUUKEUYAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF3N2O/c18-15-4-2-1-3-14(15)12-9-13(10-12)22-11-16(17(19,20)21)23-5-7-24-8-6-23/h1-4,12-13,16,22H,5-11H2.
What are the key properties of 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine?
3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine has a molecular weight of 362.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 154759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).