1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine

C14H21F3N2O — CID 79104181

IUPAC1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(CCCOCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H21F3N2O/c1-18-13(11-3-4-11)12-5-7-19(9-12)6-2-8-20-10-14(15,16)17/h5,7,9,11,13,18H,2-4,6,8,10H2,1H3
InChIKeyFZUMZUNEFWXSPC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.13
Rot. Bonds8

About 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine

1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine (PubChem CID 79104181) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
PubChem CID79104181
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(CCCOCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H21F3N2O/c1-18-13(11-3-4-11)12-5-7-19(9-12)6-2-8-20-10-14(15,16)17/h5,7,9,11,13,18H,2-4,6,8,10H2,1H3
InChIKeyFZUMZUNEFWXSPC-UHFFFAOYSA-N
XLogP3.13
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine (CID 79104181) is 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine is CNC(c1ccn(CCCOCC(F)(F)F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
The InChIKey is FZUMZUNEFWXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-18-13(11-3-4-11)12-5-7-19(9-12)6-2-8-20-10-14(15,16)17/h5,7,9,11,13,18H,2-4,6,8,10H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine?
1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine has a molecular weight of 290.33 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79104181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).