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

C17H23F3N2 — CID 69062108

IUPAC(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(CN(C2CCCC2)[C@H]2CCNC2)cc1
InChIInChI=1S/C17H23F3N2/c18-17(19,20)14-7-5-13(6-8-14)12-22(15-3-1-2-4-15)16-9-10-21-11-16/h5-8,15-16,21H,1-4,9-12H2/t16-/m0/s1
InChIKeyHPHKLBQLOWTLMS-INIZCTEOSA-N
MW312.38 g/mol
LogP3.81
Rot. Bonds4

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

(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 69062108) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID69062108
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(CN(C2CCCC2)[C@H]2CCNC2)cc1
InChIInChI=1S/C17H23F3N2/c18-17(19,20)14-7-5-13(6-8-14)12-22(15-3-1-2-4-15)16-9-10-21-11-16/h5-8,15-16,21H,1-4,9-12H2/t16-/m0/s1
InChIKeyHPHKLBQLOWTLMS-INIZCTEOSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
CID 11380271
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
(3S)-N-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648784
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
(E)-but-2-enedioic acid;(3S)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69061108
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842429
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 69062108) is (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is FC(F)(F)c1ccc(CN(C2CCCC2)[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is HPHKLBQLOWTLMS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23F3N2/c18-17(19,20)14-7-5-13(6-8-14)12-22(15-3-1-2-4-15)16-9-10-21-11-16/h5-8,15-16,21H,1-4,9-12H2/t16-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 312.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69062108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).