N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C12H15F3N2 — CID 79740953

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(CNC2CCNC2)cc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-3-1-9(2-4-10)7-17-11-5-6-16-8-11/h1-4,11,16-17H,5-8H2
InChIKeyFMYZKPPJNVGQRM-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.16
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 79740953) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID79740953
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(CNC2CCNC2)cc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-3-1-9(2-4-10)7-17-11-5-6-16-8-11/h1-4,11,16-17H,5-8H2
InChIKeyFMYZKPPJNVGQRM-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
CID 65418983
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 79740953) is N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is FC(F)(F)c1ccc(CNC2CCNC2)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is FMYZKPPJNVGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)10-3-1-9(2-4-10)7-17-11-5-6-16-8-11/h1-4,11,16-17H,5-8H2.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 79740953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).