N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine

C20H29F3N2O — CID 120915869

IUPACN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCC(C)(CNC1CCCC1C1COCCN1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H29F3N2O/c1-19(2,14-5-3-6-15(11-14)20(21,22)23)13-25-17-8-4-7-16(17)18-12-26-10-9-24-18/h3,5-6,11,16-18,24-25H,4,7-10,12-13H2,1-2H3
InChIKeyPJIOBTLFIZQELQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.73
Rot. Bonds5

About N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915869) has the molecular formula C20H29F3N2O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915869
Molecular FormulaC20H29F3N2O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCC(C)(CNC1CCCC1C1COCCN1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H29F3N2O/c1-19(2,14-5-3-6-15(11-14)20(21,22)23)13-25-17-8-4-7-16(17)18-12-26-10-9-24-18/h3,5-6,11,16-18,24-25H,4,7-10,12-13H2,1-2H3
InChIKeyPJIOBTLFIZQELQ-UHFFFAOYSA-N
XLogP3.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915869) is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine is CC(C)(CNC1CCCC1C1COCCN1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is PJIOBTLFIZQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O/c1-19(2,14-5-3-6-15(11-14)20(21,22)23)13-25-17-8-4-7-16(17)18-12-26-10-9-24-18/h3,5-6,11,16-18,24-25H,4,7-10,12-13H2,1-2H3.
What are the key properties of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 370.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).