[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C13H18ClF3N2O — CID 119927174

IUPAC[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)19-12-5-3-10(4-6-12)9-18-7-1-2-11(18)8-17;/h3-6,11H,1-2,7-9,17H2;1H
InChIKeyWZRIMSZOBOMLMP-UHFFFAOYSA-N
MW310.75 g/mol
LogP2.93
Rot. Bonds4

About [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119927174) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119927174
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)19-12-5-3-10(4-6-12)9-18-7-1-2-11(18)8-17;/h3-6,11H,1-2,7-9,17H2;1H
InChIKeyWZRIMSZOBOMLMP-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 119927174) is [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is WZRIMSZOBOMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)19-12-5-3-10(4-6-12)9-18-7-1-2-11(18)8-17;/h3-6,11H,1-2,7-9,17H2;1H.
What are the key properties of [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119927174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).