(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine

C14H18F3NO — CID 134558220

IUPAC(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1ccc(C(F)(F)F)c(OCC2CC2)c1
InChIInChI=1S/C14H18F3NO/c1-9(18-2)11-5-6-12(14(15,16)17)13(7-11)19-8-10-3-4-10/h5-7,9-10,18H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeyZDRSNAGMMLCYJR-VIFPVBQESA-N
MW273.30 g/mol
LogP3.77
Rot. Bonds5

About (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine

(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 134558220) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID134558220
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1ccc(C(F)(F)F)c(OCC2CC2)c1
InChIInChI=1S/C14H18F3NO/c1-9(18-2)11-5-6-12(14(15,16)17)13(7-11)19-8-10-3-4-10/h5-7,9-10,18H,3-4,8H2,1-2H3/t9-/m0/s1
InChIKeyZDRSNAGMMLCYJR-VIFPVBQESA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 134541503
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
4-[(2S)-but-3-en-2-yl]-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene
CID 146228264
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
CID 135220431
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
CID 161120964
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethyl]-5-(4-methylidene-2-oxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 145227534
ethyl 2-[5-[(3R)-3-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]butyl]sulfonylpentylamino]acetate
CID 145227636
1-(cyclopropylmethoxy)-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 165344503
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
(S)-N-[1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 154505277

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine (CID 134558220) is (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine is CN[C@@H](C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.
What is the InChIKey of (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is ZDRSNAGMMLCYJR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9(18-2)11-5-6-12(14(15,16)17)13(7-11)19-8-10-3-4-10/h5-7,9-10,18H,3-4,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine?
(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 134558220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).