2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine

C14H23F3N2O — CID 79097823

IUPAC2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCCCNC(c1ccn(CCOC(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H23F3N2O/c1-4-6-18-13(11(2)3)12-5-7-19(10-12)8-9-20-14(15,16)17/h5,7,10-11,13,18H,4,6,8-9H2,1-3H3
InChIKeyMJPGEUYDOAYYNB-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.72
Rot. Bonds8

About 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine

2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79097823) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
PubChem CID79097823
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCCCNC(c1ccn(CCOC(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H23F3N2O/c1-4-6-18-13(11(2)3)12-5-7-19(10-12)8-9-20-14(15,16)17/h5,7,10-11,13,18H,4,6,8-9H2,1-3H3
InChIKeyMJPGEUYDOAYYNB-UHFFFAOYSA-N
XLogP3.72
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine (CID 79097823) is 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine is CCCNC(c1ccn(CCOC(F)(F)F)c1)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is MJPGEUYDOAYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-4-6-18-13(11(2)3)12-5-7-19(10-12)8-9-20-14(15,16)17/h5,7,10-11,13,18H,4,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine?
2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 292.35 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).