N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C16H23F3N2 — CID 69062877

IUPACN-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCC(C)CN(Cc1ccccc1C(F)(F)F)C1CCNC1
InChIInChI=1S/C16H23F3N2/c1-12(2)10-21(14-7-8-20-9-14)11-13-5-3-4-6-15(13)16(17,18)19/h3-6,12,14,20H,7-11H2,1-2H3
InChIKeyBOABQVYKFCFBSO-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.53
Rot. Bonds5

About N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 69062877) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID69062877
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCC(C)CN(Cc1ccccc1C(F)(F)F)C1CCNC1
InChIInChI=1S/C16H23F3N2/c1-12(2)10-21(14-7-8-20-9-14)11-13-5-3-4-6-15(13)16(17,18)19/h3-6,12,14,20H,7-11H2,1-2H3
InChIKeyBOABQVYKFCFBSO-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 69062877) is N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is CC(C)CN(Cc1ccccc1C(F)(F)F)C1CCNC1.
What is the InChIKey of N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is BOABQVYKFCFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(2)10-21(14-7-8-20-9-14)11-13-5-3-4-6-15(13)16(17,18)19/h3-6,12,14,20H,7-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 300.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69062877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).