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

C15H25F3N2O — CID 79109121

IUPACN-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(CCCOCC(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H25F3N2O/c1-4-19-14(12(2)3)13-6-8-20(10-13)7-5-9-21-11-15(16,17)18/h6,8,10,12,14,19H,4-5,7,9,11H2,1-3H3
InChIKeyBXRGUGOIAVWKHN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.76
Rot. Bonds9

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

N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79109121) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
PubChem CID79109121
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(CCCOCC(F)(F)F)c1)C(C)C
InChIInChI=1S/C15H25F3N2O/c1-4-19-14(12(2)3)13-6-8-20(10-13)7-5-9-21-11-15(16,17)18/h6,8,10,12,14,19H,4-5,7,9,11H2,1-3H3
InChIKeyBXRGUGOIAVWKHN-UHFFFAOYSA-N
XLogP3.76
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.76
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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Related Compounds

N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503
N-[1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099551
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethanamine
CID 79098535
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 103411325
N,2-dimethyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705502
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 106930189
1-(1-hexylpyrrol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 79097646
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
1-cyclopropyl-N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79103755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine (CID 79109121) is N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine is CCNC(c1ccn(CCCOCC(F)(F)F)c1)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is BXRGUGOIAVWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-4-19-14(12(2)3)13-6-8-20(10-13)7-5-9-21-11-15(16,17)18/h6,8,10,12,14,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine?
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 306.37 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79109121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).