N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine

C15H19ClF3NO — CID 106705939

IUPACN-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
SMILESFC(F)(F)COCC(CNC1CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClF3NO/c16-13-3-1-2-11(7-13)6-12(8-20-14-4-5-14)9-21-10-15(17,18)19/h1-3,7,12,14,20H,4-6,8-10H2
InChIKeyKHVQIYXPNAUJIJ-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.83
Rot. Bonds8

About N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine

N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine (PubChem CID 106705939) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
PubChem CID106705939
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
SMILESFC(F)(F)COCC(CNC1CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClF3NO/c16-13-3-1-2-11(7-13)6-12(8-20-14-4-5-14)9-21-10-15(17,18)19/h1-3,7,12,14,20H,4-6,8-10H2
InChIKeyKHVQIYXPNAUJIJ-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine (CID 106705939) is N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine is FC(F)(F)COCC(CNC1CC1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
The InChIKey is KHVQIYXPNAUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c16-13-3-1-2-11(7-13)6-12(8-20-14-4-5-14)9-21-10-15(17,18)19/h1-3,7,12,14,20H,4-6,8-10H2.
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine?
N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine has a molecular weight of 321.77 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine is sourced from PubChem (CID 106705939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).