(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine

C14H20F3NO — CID 69455400

IUPAC(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
SMILESCCC[C@H](CCNC)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-4-12(9-10-18-2)19-13-7-5-11(6-8-13)14(15,16)17/h5-8,12,18H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyPWFXESSYGFRRJQ-GFCCVEGCSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds7

About (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine

(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine (PubChem CID 69455400) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
PubChem CID69455400
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
SMILESCCC[C@H](CCNC)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-4-12(9-10-18-2)19-13-7-5-11(6-8-13)14(15,16)17/h5-8,12,18H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyPWFXESSYGFRRJQ-GFCCVEGCSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
(3R)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 57369117
3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 12774539
3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine
CID 69455739
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
CID 11624379
N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 112509139
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 159228228

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine?
The IUPAC name of (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine (CID 69455400) is (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine is CCC[C@H](CCNC)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine?
The InChIKey is PWFXESSYGFRRJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-4-12(9-10-18-2)19-13-7-5-11(6-8-13)14(15,16)17/h5-8,12,18H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine?
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine is sourced from PubChem (CID 69455400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).