[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride

C17H19ClF3N3O — CID 166070002

IUPAC[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H18F3N3O.ClH/c18-17(19,20)13-5-6-16(22-10-13)24-14-7-8-23(11-14)15-4-2-1-3-12(15)9-21;/h1-6,10,14H,7-9,11,21H2;1H/t14-;/m1./s1
InChIKeyCFMMDKSGSPPZDD-PFEQFJNWSA-N
MW373.81 g/mol
LogP3.64
Rot. Bonds4

About [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride

[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 166070002) has the molecular formula C17H19ClF3N3O and a molecular weight of 373.81 g/mol. Its IUPAC name is [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID166070002
Molecular FormulaC17H19ClF3N3O
Molecular Weight373.81 g/mol
Exact Mass373.12
IUPAC Name[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H18F3N3O.ClH/c18-17(19,20)13-5-6-16(22-10-13)24-14-7-8-23(11-14)15-4-2-1-3-12(15)9-21;/h1-6,10,14H,7-9,11,21H2;1H/t14-;/m1./s1
InChIKeyCFMMDKSGSPPZDD-PFEQFJNWSA-N
XLogP3.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride (CID 166070002) is [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is CFMMDKSGSPPZDD-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H18F3N3O.ClH/c18-17(19,20)13-5-6-16(22-10-13)24-14-7-8-23(11-14)15-4-2-1-3-12(15)9-21;/h1-6,10,14H,7-9,11,21H2;1H/t14-;/m1./s1.
What are the key properties of [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 373.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 166070002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).