N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine

C11H17F3N2 — CID 79097299

IUPACN,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(CC(F)(F)F)c1)C(C)C
InChIInChI=1S/C11H17F3N2/c1-8(2)10(15-3)9-4-5-16(6-9)7-11(12,13)14/h4-6,8,10,15H,7H2,1-3H3
InChIKeyJZBYINNGRJZXMV-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.97
Rot. Bonds4

About N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine

N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79097299) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79097299
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(CC(F)(F)F)c1)C(C)C
InChIInChI=1S/C11H17F3N2/c1-8(2)10(15-3)9-4-5-16(6-9)7-11(12,13)14/h4-6,8,10,15H,7H2,1-3H3
InChIKeyJZBYINNGRJZXMV-UHFFFAOYSA-N
XLogP2.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine (CID 79097299) is N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine is CNC(c1ccn(CC(F)(F)F)c1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is JZBYINNGRJZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-8(2)10(15-3)9-4-5-16(6-9)7-11(12,13)14/h4-6,8,10,15H,7H2,1-3H3.
What are the key properties of N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).