N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine

C15H21F3N2 — CID 79056816

IUPACN,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCNC(c1ccc(F)c(F)c1F)C(C)(C)N1CCCC1
InChIInChI=1S/C15H21F3N2/c1-15(2,20-8-4-5-9-20)14(19-3)10-6-7-11(16)13(18)12(10)17/h6-7,14,19H,4-5,8-9H2,1-3H3
InChIKeyYRBNWUUUFKPVPN-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.24
Rot. Bonds4

About N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine

N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 79056816) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID79056816
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCNC(c1ccc(F)c(F)c1F)C(C)(C)N1CCCC1
InChIInChI=1S/C15H21F3N2/c1-15(2,20-8-4-5-9-20)14(19-3)10-6-7-11(16)13(18)12(10)17/h6-7,14,19H,4-5,8-9H2,1-3H3
InChIKeyYRBNWUUUFKPVPN-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
[1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239829
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
5-methyl-3-[2-methyl-1-(methylamino)-2-piperidin-1-ylpropyl]pyridin-2-amine
CID 79044875

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine (CID 79056816) is N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine is CNC(c1ccc(F)c(F)c1F)C(C)(C)N1CCCC1.
What is the InChIKey of N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is YRBNWUUUFKPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-15(2,20-8-4-5-9-20)14(19-3)10-6-7-11(16)13(18)12(10)17/h6-7,14,19H,4-5,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine?
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 286.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 79056816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).