4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C13H18ClF3N2O — CID 120962314

IUPAC4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-3-1-2-9(4-11)5-17-6-10-7-18-8-12(10)19;/h1-4,10,12,17-19H,5-8H2;1H
InChIKeyYDQKKFAPUXGDPK-UHFFFAOYSA-N
MW310.75 g/mol
LogP1.80
Rot. Bonds4

About 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962314) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962314
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-3-1-2-9(4-11)5-17-6-10-7-18-8-12(10)19;/h1-4,10,12,17-19H,5-8H2;1H
InChIKeyYDQKKFAPUXGDPK-UHFFFAOYSA-N
XLogP1.80
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120947569
1-[3-(azetidin-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 68784920
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
1-(2-bicyclo[2.2.1]heptanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63688120
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 120948451
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120962035
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine;hydrochloride
CID 44570846
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 67218389

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962314) is 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is YDQKKFAPUXGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)11-3-1-2-9(4-11)5-17-6-10-7-18-8-12(10)19;/h1-4,10,12,17-19H,5-8H2;1H.
What are the key properties of 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).