N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C16H23F3N2 — CID 118714026

IUPACN,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C16H23F3N2/c1-20(2)12-9-15(21-10-3-4-11-21)13-5-7-14(8-6-13)16(17,18)19/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyUIOBXKSDWRXQBR-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.79
Rot. Bonds5

About N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine

N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 118714026) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID118714026
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C16H23F3N2/c1-20(2)12-9-15(21-10-3-4-11-21)13-5-7-14(8-6-13)16(17,18)19/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyUIOBXKSDWRXQBR-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 118714026) is N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CN(C)CCC(c1ccc(C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is UIOBXKSDWRXQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-20(2)12-9-15(21-10-3-4-11-21)13-5-7-14(8-6-13)16(17,18)19/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 300.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 118714026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).