2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine

C11H14F3N3O — CID 59268463

IUPAC2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine
SMILESNc1cc(C(F)(F)F)cc(N)c1OC1CCNC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-3-8(15)10(9(16)4-6)18-7-1-2-17-5-7/h3-4,7,17H,1-2,5,15-16H2
InChIKeyDWYWTTBNJPPITN-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.61
Rot. Bonds2

About 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine

2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 59268463) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine
PubChem CID59268463
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine
SMILESNc1cc(C(F)(F)F)cc(N)c1OC1CCNC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-3-8(15)10(9(16)4-6)18-7-1-2-17-5-7/h3-4,7,17H,1-2,5,15-16H2
InChIKeyDWYWTTBNJPPITN-UHFFFAOYSA-N
XLogP1.61
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine (CID 59268463) is 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine is Nc1cc(C(F)(F)F)cc(N)c1OC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is DWYWTTBNJPPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-3-8(15)10(9(16)4-6)18-7-1-2-17-5-7/h3-4,7,17H,1-2,5,15-16H2.
What are the key properties of 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine?
2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 261.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 59268463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).