(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine

C14H19ClF3NO — CID 11624379

IUPAC(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
SMILESCCC[C@H](CCNC)Oc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H19ClF3NO/c1-3-5-10(8-9-19-2)20-12-7-4-6-11(13(12)15)14(16,17)18/h4,6-7,10,19H,3,5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyVBJVBBMFWPADIS-SNVBAGLBSA-N
MW309.76 g/mol
LogP4.52
Rot. Bonds7

About (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine

(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine (PubChem CID 11624379) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine.

Molecular Properties

Compound Name(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
PubChem CID11624379
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
SMILESCCC[C@H](CCNC)Oc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H19ClF3NO/c1-3-5-10(8-9-19-2)20-12-7-4-6-11(13(12)15)14(16,17)18/h4,6-7,10,19H,3,5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyVBJVBBMFWPADIS-SNVBAGLBSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine?
The IUPAC name of (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine (CID 11624379) is (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine.
What is the SMILES notation for (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine?
The canonical SMILES for (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine is CCC[C@H](CCNC)Oc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine?
The InChIKey is VBJVBBMFWPADIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClF3NO/c1-3-5-10(8-9-19-2)20-12-7-4-6-11(13(12)15)14(16,17)18/h4,6-7,10,19H,3,5,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine?
(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine has a molecular weight of 309.76 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine is sourced from PubChem (CID 11624379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).