Reconcile

C17H19ClF3NO — CID 62857

IUPACN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
SMILESCNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
InChIInChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
InChIKeyGIYXAJPCNFJEHY-UHFFFAOYSA-N
MW345.80 g/mol
LogP—
Rot. Bonds6

About Reconcile

Reconcile (PubChem CID 62857) has the molecular formula C17H19ClF3NO and a molecular weight of 345.80 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameReconcile
PubChem CID62857
Molecular FormulaC17H19ClF3NO
Molecular Weight345.80 g/mol
Exact Mass345.11
IUPAC NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
SMILESCNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
InChIInChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
InChIKeyGIYXAJPCNFJEHY-UHFFFAOYSA-N
XLogP—
TPSA21.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(R)-Norfluoxetine
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Frequently Asked Questions

What is the IUPAC name of Reconcile?
The IUPAC name of Reconcile (CID 62857) is N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride.
What is the SMILES notation for Reconcile?
The canonical SMILES for Reconcile is CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl.
What is the InChIKey of Reconcile?
The InChIKey is GIYXAJPCNFJEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H.
What are the key properties of Reconcile?
Reconcile has a molecular weight of 345.80 g/mol, XLogP of not available, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Reconcile is sourced from PubChem (CID 62857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).