(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine

C14H20F3NO — CID 11565843

IUPAC(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
SMILESCCC[C@@H](CCNC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-6-11(9-10-18-2)19-13-8-5-4-7-12(13)14(15,16)17/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyLNNHXTCYXRDLQA-NSHDSACASA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds7

About (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine

(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine (PubChem CID 11565843) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
PubChem CID11565843
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
SMILESCCC[C@@H](CCNC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-6-11(9-10-18-2)19-13-8-5-4-7-12(13)14(15,16)17/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyLNNHXTCYXRDLQA-NSHDSACASA-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

(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
CID 11624379
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654
N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451276
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
(3S)-3-(2-chloro-4-fluorophenoxy)-N-methylhexan-1-amine
CID 11529020
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
CID 19025855
(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
CID 69456701

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine?
The IUPAC name of (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine (CID 11565843) is (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine is CCC[C@@H](CCNC)Oc1ccccc1C(F)(F)F.
What is the InChIKey of (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine?
The InChIKey is LNNHXTCYXRDLQA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-6-11(9-10-18-2)19-13-8-5-4-7-12(13)14(15,16)17/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine?
(3S)-N-methyl-3-[2-(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 (3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine is sourced from PubChem (CID 11565843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).